2-chloro-N-(methoxymethyl)pyridine-3-carboxamide

C8H9ClN2O2 — CID 71433413

IUPAC2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCNC(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-5-11-8(12)6-3-2-4-10-7(6)9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyNKQWHGLBZJNPEY-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.07
Rot. Bonds3

About 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide

2-chloro-N-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 71433413) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
PubChem CID71433413
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCNC(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-5-11-8(12)6-3-2-4-10-7(6)9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyNKQWHGLBZJNPEY-UHFFFAOYSA-N
XLogP1.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide (CID 71433413) is 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide is COCNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is NKQWHGLBZJNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-5-11-8(12)6-3-2-4-10-7(6)9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide?
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 200.62 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71433413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).