3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide

C10H11Cl3N2O4 — CID 107845514

IUPAC3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O4/c11-5-1-14-8(7(13)6(5)12)9(19)15-10(2-16,3-17)4-18/h1,16-18H,2-4H2,(H,15,19)
InChIKeyPXMPAPKUGFHFQY-UHFFFAOYSA-N
MW329.57 g/mol
LogP0.49
Rot. Bonds5

About 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide

3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 107845514) has the molecular formula C10H11Cl3N2O4 and a molecular weight of 329.57 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
PubChem CID107845514
Molecular FormulaC10H11Cl3N2O4
Molecular Weight329.57 g/mol
Exact Mass327.98
IUPAC Name3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl3N2O4/c11-5-1-14-8(7(13)6(5)12)9(19)15-10(2-16,3-17)4-18/h1,16-18H,2-4H2,(H,15,19)
InChIKeyPXMPAPKUGFHFQY-UHFFFAOYSA-N
XLogP0.49
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62517983
3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide
CID 61245347
4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
CID 43238498
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66178693
3,3-dimethyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]butanoic acid
CID 43467624
2-[1-[[(3,4,5-trichloropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81165414
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
CID 106385570
3-methyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pentanoic acid
CID 43239976
3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 16551109

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide (CID 107845514) is 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide is O=C(NC(CO)(CO)CO)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is PXMPAPKUGFHFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O4/c11-5-1-14-8(7(13)6(5)12)9(19)15-10(2-16,3-17)4-18/h1,16-18H,2-4H2,(H,15,19).
What are the key properties of 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide?
3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 329.57 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107845514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).