[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol

C10H9ClFN3O — CID 157046520

IUPAC[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C10H9ClFN3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3
InChIKeyDKUYISTWWXVGMQ-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.77
Rot. Bonds2

About [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol

[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol (PubChem CID 157046520) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol
PubChem CID157046520
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C10H9ClFN3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3
InChIKeyDKUYISTWWXVGMQ-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol (CID 157046520) is [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(Cl)cc2F)c1CO.
What is the InChIKey of [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol?
The InChIKey is DKUYISTWWXVGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3.
What are the key properties of [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol?
[5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol has a molecular weight of 241.65 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 157046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).