3-(aminomethyl)-6-chloro-1H-pyridin-2-one

C6H7ClN2O — CID 84650819

IUPAC3-(aminomethyl)-6-chloro-1H-pyridin-2-one
SMILESNCc1ccc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c7-5-2-1-4(3-8)6(10)9-5/h1-2H,3,8H2,(H,9,10)
InChIKeyYGQQQACLISTGPP-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.49
Rot. Bonds1

About 3-(aminomethyl)-6-chloro-1H-pyridin-2-one

3-(aminomethyl)-6-chloro-1H-pyridin-2-one (PubChem CID 84650819) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-(aminomethyl)-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-chloro-1H-pyridin-2-one
PubChem CID84650819
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-(aminomethyl)-6-chloro-1H-pyridin-2-one
SMILESNCc1ccc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c7-5-2-1-4(3-8)6(10)9-5/h1-2H,3,8H2,(H,9,10)
InChIKeyYGQQQACLISTGPP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-chloro-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-chloro-1H-pyridin-2-one (CID 84650819) is 3-(aminomethyl)-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-chloro-1H-pyridin-2-one is NCc1ccc(Cl)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-chloro-1H-pyridin-2-one?
The InChIKey is YGQQQACLISTGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-5-2-1-4(3-8)6(10)9-5/h1-2H,3,8H2,(H,9,10).
What are the key properties of 3-(aminomethyl)-6-chloro-1H-pyridin-2-one?
3-(aminomethyl)-6-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)-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 84650819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).