2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol

C14H10BrClN4O — CID 135429671

IUPAC2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C14H10BrClN4O/c1-20-14(9-6-8(16)7-10(15)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3
InChIKeyGIJNLFQSESNVFW-UHFFFAOYSA-N
MW365.62 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol

2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (PubChem CID 135429671) has the molecular formula C14H10BrClN4O and a molecular weight of 365.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
PubChem CID135429671
Molecular FormulaC14H10BrClN4O
Molecular Weight365.62 g/mol
Exact Mass363.97
IUPAC Name2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
SMILESCn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C14H10BrClN4O/c1-20-14(9-6-8(16)7-10(15)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3
InChIKeyGIJNLFQSESNVFW-UHFFFAOYSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol (CID 135429671) is 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is Cn1nc(-c2ccccn2)nc1-c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
The InChIKey is GIJNLFQSESNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4O/c1-20-14(9-6-8(16)7-10(15)12(9)21)18-13(19-20)11-4-2-3-5-17-11/h2-7,21H,1H3.
What are the key properties of 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol?
2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol has a molecular weight of 365.62 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).