5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide

C7H7ClN2O2 — CID 91479805

IUPAC5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NCO)c1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c8-5-1-2-6(9-3-5)7(12)10-4-11/h1-3,11H,4H2,(H,10,12)
InChIKeyCUOYMDYAGXGVOJ-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.41
Rot. Bonds2

About 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide

5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 91479805) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID91479805
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NCO)c1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c8-5-1-2-6(9-3-5)7(12)10-4-11/h1-3,11H,4H2,(H,10,12)
InChIKeyCUOYMDYAGXGVOJ-UHFFFAOYSA-N
XLogP0.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide (CID 91479805) is 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide is O=C(NCO)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is CUOYMDYAGXGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-1-2-6(9-3-5)7(12)10-4-11/h1-3,11H,4H2,(H,10,12).
What are the key properties of 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide?
5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 91479805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).