5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide

C14H12Cl2N2O2 — CID 61040655

IUPAC5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-11(19)5-9)18-14(20)10-6-12(15)13(16)17-7-10/h2-8,19H,1H3,(H,18,20)
InChIKeyVWRSHXOWZIQAJH-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.59
Rot. Bonds3

About 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 61040655) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID61040655
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-11(19)5-9)18-14(20)10-6-12(15)13(16)17-7-10/h2-8,19H,1H3,(H,18,20)
InChIKeyVWRSHXOWZIQAJH-UHFFFAOYSA-N
XLogP3.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
CID 62237377
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide (CID 61040655) is 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VWRSHXOWZIQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-11(19)5-9)18-14(20)10-6-12(15)13(16)17-7-10/h2-8,19H,1H3,(H,18,20).
What are the key properties of 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 61040655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).