6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide

C14H13ClN2O2 — CID 110902455

IUPAC6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2/c15-13-6-5-11(8-16-13)14(19)17-7-10-3-1-2-4-12(10)9-18/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyGWSUCEVKGBGDIS-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.16
Rot. Bonds4

About 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide

6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 110902455) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID110902455
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2/c15-13-6-5-11(8-16-13)14(19)17-7-10-3-1-2-4-12(10)9-18/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyGWSUCEVKGBGDIS-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.16
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

6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929877
6-chloro-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 55664568
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 110902455) is 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1CO)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GWSUCEVKGBGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-6-5-11(8-16-13)14(19)17-7-10-3-1-2-4-12(10)9-18/h1-6,8,18H,7,9H2,(H,17,19).
What are the key properties of 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).