4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

C13H9ClN4O — CID 135429486

IUPAC4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H9ClN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18)
InChIKeyKMYFCAJAGOWKAS-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 135429486) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID135429486
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H9ClN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18)
InChIKeyKMYFCAJAGOWKAS-UHFFFAOYSA-N
XLogP2.89
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5-(3-Chlorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135507442
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
2-hydroxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 135960819
2-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 4730474
2-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridin-3-ol
CID 136085432
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-fluoro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429497
4-fluoro-2-[3-(6-methyl-2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429511
4-fluoro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429524
4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429526
2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (CID 135429486) is 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1ccc(Cl)cc1-c1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is KMYFCAJAGOWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18).
What are the key properties of 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 272.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).