3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one

C12H11BrN2O — CID 62102931

IUPAC3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8,14H2
InChIKeyZONZWPWIOIPYAV-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.24
Rot. Bonds2

About 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one

3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one (PubChem CID 62102931) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
PubChem CID62102931
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8,14H2
InChIKeyZONZWPWIOIPYAV-UHFFFAOYSA-N
XLogP2.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
2-amino-6-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114759968
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
2-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82147056
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79103009
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
CID 65317704
3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
CID 138585348
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
CID 114761524

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one (CID 62102931) is 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one is Nc1cccn(Cc2ccccc2Br)c1=O.
What is the InChIKey of 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one?
The InChIKey is ZONZWPWIOIPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8,14H2.
What are the key properties of 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one?
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one has a molecular weight of 279.14 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 62102931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).