6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide

C14H13ClN2O2 — CID 61040520

IUPAC6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)c1cccc(O)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-12(18)7-10)17-14(19)11-5-6-13(15)16-8-11/h2-9,18H,1H3,(H,17,19)
InChIKeyGWEFLFGOVAZVNU-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.93
Rot. Bonds3

About 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 61040520) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID61040520
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)c1cccc(O)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-12(18)7-10)17-14(19)11-5-6-13(15)16-8-11/h2-9,18H,1H3,(H,17,19)
InChIKeyGWEFLFGOVAZVNU-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.93
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

5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide (CID 61040520) is 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nc1)c1cccc(O)c1.
What is the InChIKey of 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is GWEFLFGOVAZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-12(18)7-10)17-14(19)11-5-6-13(15)16-8-11/h2-9,18H,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 61040520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).