3-(aminomethyl)-5-chloro-1H-pyridin-2-one

C6H7ClN2O — CID 66222821

IUPAC3-(aminomethyl)-5-chloro-1H-pyridin-2-one
SMILESNCc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKeyDLXRPFXKWWTZRT-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.49
Rot. Bonds1

About 3-(aminomethyl)-5-chloro-1H-pyridin-2-one

3-(aminomethyl)-5-chloro-1H-pyridin-2-one (PubChem CID 66222821) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-1H-pyridin-2-one
PubChem CID66222821
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-(aminomethyl)-5-chloro-1H-pyridin-2-one
SMILESNCc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKeyDLXRPFXKWWTZRT-UHFFFAOYSA-N
XLogP0.49
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
2-Hydroxy-3-pyridinecarboxamide
CID 258299
3-(Aminomethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 12847833
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
5-Chloro-2-hydroxypyridine-3-carbonitrile
CID 14211657
3-(Aminomethyl)-5-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 91647545
3-(Aminomethyl)-5-chloropyridin-2-ol hydrochloride
CID 118798102
3-(Aminomethyl)-5-bromopyridin-2-ol hydrochloride
CID 137919877
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
1,2-Dihydropyridine-3-carboxamide
CID 5231521
3-(Chloromethyl)-2(1H)-pyridinone
CID 57941420
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one (CID 66222821) is 3-(aminomethyl)-5-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one is NCc1cc(Cl)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one?
The InChIKey is DLXRPFXKWWTZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10).
What are the key properties of 3-(aminomethyl)-5-chloro-1H-pyridin-2-one?
3-(aminomethyl)-5-chloro-1H-pyridin-2-one has a molecular weight of 158.59 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-1H-pyridin-2-one is sourced from PubChem (CID 66222821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).