AA90546
16830-24-3 | Methyl 2-methylisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AA90546
ChemicalName
Methyl 2-methylisonicotinate
CasNumber
16830-24-3
MolecularFormula
C8H9NO2
MolecularWeight
151.1626
MdlNumber
MFCD09991707
Smiles
COC(=O)c1ccnc(c1)C
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AA90546
ChemicalName: Methyl 2-methylisonicotinate
CasNumber: 16830-24-3
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD09991707
Smiles: COC(=O)c1ccnc(c1)C
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AA90546
ChemicalName:
Methyl 2-methylisonicotinate
CasNumber:
16830-24-3
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD09991707
Smiles:
COC(=O)c1ccnc(c1)C
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Complexity: 1820
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Complexity:
1820
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ncc(c(=O)[nH]1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncc(c(=O)[nH]1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA90553
ChemicalName: 2-Amino-5-fluoropyrimidine
CasNumber: 1683-85-8
MolecularFormula: C4H4FN3
MolecularWeight: 113.0930632
MdlNumber: MFCD11846500
Smiles: Fc1cnc(nc1)N
Complexity: 69.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA90553
ChemicalName:
2-Amino-5-fluoropyrimidine
CasNumber:
1683-85-8
MolecularFormula:
C4H4FN3
MolecularWeight:
113.0930632
MdlNumber:
MFCD11846500
Smiles:
Fc1cnc(nc1)N
Complexity:
69.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
__