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

C14H11ClN4O — CID 135429643

IUPAC4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN4O/c1-19-14(10-8-9(15)5-6-12(10)20)17-13(18-19)11-4-2-3-7-16-11/h2-8,20H,1H3
InChIKeyRTAJHPNTMPYJND-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.90
Rot. Bonds2

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

4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (PubChem CID 135429643) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
PubChem CID135429643
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN4O/c1-19-14(10-8-9(15)5-6-12(10)20)17-13(18-19)11-4-2-3-7-16-11/h2-8,20H,1H3
InChIKeyRTAJHPNTMPYJND-UHFFFAOYSA-N
XLogP2.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 135429673
3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 82871264
4-chloro-2-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 135429607
2-pyridin-2-ylphenol;hydrate
CID 175244966
4-chloro-2-[1-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol
CID 155115100
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
bis(dimethylazanide);bis(2-pyridin-2-ylphenol);titanium(2+)
CID 135489220
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
4-chloro-2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429513
4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
CID 136843777
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (CID 135429643) is 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is Cn1nc(-c2ccccn2)nc1-c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The InChIKey is RTAJHPNTMPYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-19-14(10-8-9(15)5-6-12(10)20)17-13(18-19)11-4-2-3-7-16-11/h2-8,20H,1H3.
What are the key properties of 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol has a molecular weight of 286.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).