[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol

C15H12ClFN4O — CID 94943507

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2c(F)cccc2Cl)c1-c1ccncc1
InChIInChI=1S/C15H12ClFN4O/c16-12-2-1-3-13(17)11(12)8-21-15(14(9-22)19-20-21)10-4-6-18-7-5-10/h1-7,22H,8-9H2
InChIKeyARSXLMYRFGDLFJ-UHFFFAOYSA-N
MW318.74 g/mol
LogP2.67
Rot. Bonds4

About [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol

[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol (PubChem CID 94943507) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
PubChem CID94943507
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2c(F)cccc2Cl)c1-c1ccncc1
InChIInChI=1S/C15H12ClFN4O/c16-12-2-1-3-13(17)11(12)8-21-15(14(9-22)19-20-21)10-4-6-18-7-5-10/h1-7,22H,8-9H2
InChIKeyARSXLMYRFGDLFJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-Dichlorophenyl)-2-[4-(2-pyridyl)triazol-1-yl]ethanol
CID 53378325
3-[4-(2-Chloro-6-fluorophenyl)triazol-1-yl]pyridine
CID 46183263
[2-(2-Chloro-4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 54454730
(6-{[[(2-Chloro-6-fluorophenyl)methyl](ethyl)amino]methyl}-3-pyridinyl)methanol
CID 67323475
[3-(2-Chloro-4-fluorophenyl)-2-pyridinyl]methanol
CID 68756035
[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-[1,2,3]triazol-4-yl]-methanol
CID 86601206
[3-(2-chlorophenyl)-1-(2-fluoro-5-methylpyridin-4-yl)-1H-pyrazol-4-yl]methanol
CID 86688650
3-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-ol
CID 87716202
[5-Chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
CID 121416465
[3-[1-[(4-Fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 126733279
[5-(2,4-Difluorophenyl)-3-[1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]triazol-4-yl]methanol
CID 126733313
[3-(2-Chloro-4-fluorophenyl)pyrazin-2-yl]methanol
CID 154672763

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol (CID 94943507) is [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol is OCc1nnn(Cc2c(F)cccc2Cl)c1-c1ccncc1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The InChIKey is ARSXLMYRFGDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c16-12-2-1-3-13(17)11(12)8-21-15(14(9-22)19-20-21)10-4-6-18-7-5-10/h1-7,22H,8-9H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol has a molecular weight of 318.74 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol is sourced from PubChem (CID 94943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).