6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide

C10H13ClN2O3 — CID 66169235

IUPAC6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O3/c1-10(16,6-14)5-13-9(15)7-2-3-8(11)12-4-7/h2-4,14,16H,5-6H2,1H3,(H,13,15)
InChIKeyRVFZWASNIRZYFK-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.21
Rot. Bonds4

About 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide

6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide (PubChem CID 66169235) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
PubChem CID66169235
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O3/c1-10(16,6-14)5-13-9(15)7-2-3-8(11)12-4-7/h2-4,14,16H,5-6H2,1H3,(H,13,15)
InChIKeyRVFZWASNIRZYFK-UHFFFAOYSA-N
XLogP0.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide (CID 66169235) is 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide is CC(O)(CO)CNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is RVFZWASNIRZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(16,6-14)5-13-9(15)7-2-3-8(11)12-4-7/h2-4,14,16H,5-6H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide?
6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 66169235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).