2-(aminomethyl)-5-chloropyridin-3-ol

C6H7ClN2O — CID 133057163

IUPAC2-(aminomethyl)-5-chloropyridin-3-ol
SMILESNCc1ncc(Cl)cc1O
InChIInChI=1S/C6H7ClN2O/c7-4-1-6(10)5(2-8)9-3-4/h1,3,10H,2,8H2
InChIKeyNMOXWWFRDJPUEI-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.90
Rot. Bonds1

About 2-(aminomethyl)-5-chloropyridin-3-ol

2-(aminomethyl)-5-chloropyridin-3-ol (PubChem CID 133057163) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloropyridin-3-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloropyridin-3-ol
PubChem CID133057163
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-(aminomethyl)-5-chloropyridin-3-ol
SMILESNCc1ncc(Cl)cc1O
InChIInChI=1S/C6H7ClN2O/c7-4-1-6(10)5(2-8)9-3-4/h1,3,10H,2,8H2
InChIKeyNMOXWWFRDJPUEI-UHFFFAOYSA-N
XLogP0.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloropyridin-3-ol?
The IUPAC name of 2-(aminomethyl)-5-chloropyridin-3-ol (CID 133057163) is 2-(aminomethyl)-5-chloropyridin-3-ol.
What is the SMILES notation for 2-(aminomethyl)-5-chloropyridin-3-ol?
The canonical SMILES for 2-(aminomethyl)-5-chloropyridin-3-ol is NCc1ncc(Cl)cc1O.
What is the InChIKey of 2-(aminomethyl)-5-chloropyridin-3-ol?
The InChIKey is NMOXWWFRDJPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-4-1-6(10)5(2-8)9-3-4/h1,3,10H,2,8H2.
What are the key properties of 2-(aminomethyl)-5-chloropyridin-3-ol?
2-(aminomethyl)-5-chloropyridin-3-ol has a molecular weight of 158.59 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloropyridin-3-ol is sourced from PubChem (CID 133057163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).