2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide

C14H12Cl2N2O2 — CID 61237115

IUPAC2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-13(16)18-12)14(20)17-6-5-9-1-3-11(19)4-2-9/h1-4,7-8,19H,5-6H2,(H,17,20)
InChIKeyHHVAACHCUYMNMT-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.07
Rot. Bonds4

About 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 61237115) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID61237115
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-13(16)18-12)14(20)17-6-5-9-1-3-11(19)4-2-9/h1-4,7-8,19H,5-6H2,(H,17,20)
InChIKeyHHVAACHCUYMNMT-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.07
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

3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972888
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
6-chloro-N-[2-(3,4-dihydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 78800618
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide (CID 61237115) is 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HHVAACHCUYMNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-13(16)18-12)14(20)17-6-5-9-1-3-11(19)4-2-9/h1-4,7-8,19H,5-6H2,(H,17,20).
What are the key properties of 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 61237115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).