4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol

C13H9ClN4O — CID 135429673

IUPAC4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ncn(-c2ccccn2)n1
InChIInChI=1S/C13H9ClN4O/c14-9-4-5-11(19)10(7-9)13-16-8-18(17-13)12-3-1-2-6-15-12/h1-8,19H
InChIKeyLKXNXVKSOAPDJB-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol

4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (PubChem CID 135429673) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
PubChem CID135429673
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ncn(-c2ccccn2)n1
InChIInChI=1S/C13H9ClN4O/c14-9-4-5-11(19)10(7-9)13-16-8-18(17-13)12-3-1-2-6-15-12/h1-8,19H
InChIKeyLKXNXVKSOAPDJB-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol 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

2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine
CID 159905303
2-[3-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328998
4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 135429643
4-chloro-2-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 135429607
2-(1-phenyl-1,2,4-triazol-3-yl)phenol
CID 135810285
2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328999
2-[3-(3-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328958
2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328957
2-(tetrazol-1-yl)pyridine
CID 11679840
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
5-methoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135465524
2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol
CID 134106967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (CID 135429673) is 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is Oc1ccc(Cl)cc1-c1ncn(-c2ccccn2)n1.
What is the InChIKey of 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The InChIKey is LKXNXVKSOAPDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-4-5-11(19)10(7-9)13-16-8-18(17-13)12-3-1-2-6-15-12/h1-8,19H.
What are the key properties of 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol has a molecular weight of 272.70 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).