3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide

C10H11Cl3N2O2 — CID 93041499

IUPAC3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O2/c1-2-5(4-16)15-10(17)9-8(13)7(12)6(11)3-14-9/h3,5,16H,2,4H2,1H3,(H,15,17)/t5-/m0/s1
InChIKeyPXBSQEXRQSJYIF-YFKPBYRVSA-N
MW297.57 g/mol
LogP2.54
Rot. Bonds4

About 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide

3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide (PubChem CID 93041499) has the molecular formula C10H11Cl3N2O2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
PubChem CID93041499
Molecular FormulaC10H11Cl3N2O2
Molecular Weight297.57 g/mol
Exact Mass295.99
IUPAC Name3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O2/c1-2-5(4-16)15-10(17)9-8(13)7(12)6(11)3-14-9/h3,5,16H,2,4H2,1H3,(H,15,17)/t5-/m0/s1
InChIKeyPXBSQEXRQSJYIF-YFKPBYRVSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide
CID 61245347
3-methyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pentanoic acid
CID 43239976
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
CID 43387014
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
3,3-dimethyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]butanoic acid
CID 43467624
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
CID 107845514
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide (CID 93041499) is 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide is CC[C@@H](CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide?
The InChIKey is PXBSQEXRQSJYIF-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11Cl3N2O2/c1-2-5(4-16)15-10(17)9-8(13)7(12)6(11)3-14-9/h3,5,16H,2,4H2,1H3,(H,15,17)/t5-/m0/s1.
What are the key properties of 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide?
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide has a molecular weight of 297.57 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 93041499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).