[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol

C9H6BrClFN3O — CID 107617995

IUPAC[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H6BrClFN3O/c10-6-1-5(12)2-7(11)9(6)15-4-13-14-8(15)3-16/h1-2,4,16H,3H2
InChIKeyDXISNBPRIHHIKN-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.31
Rot. Bonds2

About [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol

[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 107617995) has the molecular formula C9H6BrClFN3O and a molecular weight of 306.52 g/mol. Its IUPAC name is [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID107617995
Molecular FormulaC9H6BrClFN3O
Molecular Weight306.52 g/mol
Exact Mass304.94
IUPAC Name[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H6BrClFN3O/c10-6-1-5(12)2-7(11)9(6)15-4-13-14-8(15)3-16/h1-2,4,16H,3H2
InChIKeyDXISNBPRIHHIKN-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 107617996
[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol
CID 107604959
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 107613679
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
5-fluoro-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid
CID 20565790
1-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 107617181
1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole
CID 107613009
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(1-bromopropyl)triazole
CID 107616953
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 107618196
1-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid
CID 107615440

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol (CID 107617995) is [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol is OCc1nncn1-c1c(Cl)cc(F)cc1Br.
What is the InChIKey of [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is DXISNBPRIHHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3O/c10-6-1-5(12)2-7(11)9(6)15-4-13-14-8(15)3-16/h1-2,4,16H,3H2.
What are the key properties of [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 306.52 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 107617995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).