(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol

C14H11ClN4O — CID 114686666

IUPAC(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(Cl)nc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H11ClN4O/c15-13-7-6-10(8-16-13)14(20)12-9-17-18-19(12)11-4-2-1-3-5-11/h1-9,14,20H
InChIKeyQWZYBJFHVPOMGF-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.40
Rot. Bonds3

About (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol

(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114686666) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114686666
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(Cl)nc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H11ClN4O/c15-13-7-6-10(8-16-13)14(20)12-9-17-18-19(12)11-4-2-1-3-5-11/h1-9,14,20H
InChIKeyQWZYBJFHVPOMGF-UHFFFAOYSA-N
XLogP2.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-4-yl}-methanol
CID 44372312
[5-[(3-Chlorophenyl)methylamino]-2-pyridinyl]methanol
CID 12640218
1-(2,4-Dichlorophenyl)-2-[4-(2-pyridyl)triazol-1-yl]ethanol
CID 53378325
[5-[(3-Chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 12640228
[4-(1-Pyridin-3-yltriazol-4-yl)phenyl]methanol
CID 162659396
(4-Chlorophenyl)-[1-(4-chlorophenyl)triazol-4-yl]methanol
CID 172468128
(1R)-1-pyridin-3-yl-2-[4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]triazol-1-yl]ethanol
CID 95187927
1-[1-[(4-Chloro-2-fluorophenyl)methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanol
CID 57489124
(5-chloro-1-(4-fluorobutyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
CID 86698872
3-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-ol
CID 87716202
[2-[1-[6-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3-pyridinyl]triazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanol
CID 87985085
(1-Methyl-1H-1,2,3-triazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 118006037

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol (CID 114686666) is (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol is OC(c1ccc(Cl)nc1)c1cnnn1-c1ccccc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is QWZYBJFHVPOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-13-7-6-10(8-16-13)14(20)12-9-17-18-19(12)11-4-2-1-3-5-11/h1-9,14,20H.
What are the key properties of (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
(6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 286.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114686666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).