3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide

C9H11ClN2O2 — CID 83030867

IUPAC3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(13)4-12-9(14)7-2-3-11-5-8(7)10/h2-3,5-6,13H,4H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyCNEOBMRHVGWKDF-LURJTMIESA-N
MW214.65 g/mol
LogP0.85
Rot. Bonds3

About 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide

3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 83030867) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID83030867
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(13)4-12-9(14)7-2-3-11-5-8(7)10/h2-3,5-6,13H,4H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyCNEOBMRHVGWKDF-LURJTMIESA-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

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Related Compounds

3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide (CID 83030867) is 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide is C[C@H](O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is CNEOBMRHVGWKDF-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(13)4-12-9(14)7-2-3-11-5-8(7)10/h2-3,5-6,13H,4H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide?
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-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 3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 83030867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).