2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide

C9H11ClN2O2 — CID 93419851

IUPAC2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyREVFTKZDZKVGPV-ZCFIWIBFSA-N
MW214.65 g/mol
LogP0.85
Rot. Bonds3

About 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide

2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 93419851) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID93419851
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyREVFTKZDZKVGPV-ZCFIWIBFSA-N
XLogP0.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
CID 61248888
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide (CID 93419851) is 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide is C[C@@H](O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is REVFTKZDZKVGPV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 93419851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).