6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol

C14H9ClF2N4O — CID 171547938

IUPAC6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol
SMILESCn1c(-c2nc(Cl)ccc2O)nnc1-c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N4O/c1-21-13(11-7(16)3-2-4-8(11)17)19-20-14(21)12-9(22)5-6-10(15)18-12/h2-6,22H,1H3
InChIKeyIKUVWQRKBYVGNQ-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.18
Rot. Bonds2

About 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol

6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol (PubChem CID 171547938) has the molecular formula C14H9ClF2N4O and a molecular weight of 322.70 g/mol. Its IUPAC name is 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol
PubChem CID171547938
Molecular FormulaC14H9ClF2N4O
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol
SMILESCn1c(-c2nc(Cl)ccc2O)nnc1-c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N4O/c1-21-13(11-7(16)3-2-4-8(11)17)19-20-14(21)12-9(22)5-6-10(15)18-12/h2-6,22H,1H3
InChIKeyIKUVWQRKBYVGNQ-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.18
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

5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 171547918
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
3-fluoro-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136959759
6-chloro-2-methylpyridin-3-ol;ethane
CID 144548355
2-(3,5-dimethylimidazo[1,2-a]pyridin-2-yl)-3-fluorophenol
CID 70915984
[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396918
6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol;(E)-1,1-dibromobut-2-ene
CID 144548383
1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
CID 130437789
4-chloro-2-(2-fluoro-6-methylphenyl)phenol
CID 146321741
6-chloro-2-pyridin-3-ylpyridin-3-ol
CID 166174969
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol?
The IUPAC name of 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol (CID 171547938) is 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol.
What is the SMILES notation for 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol?
The canonical SMILES for 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol is Cn1c(-c2nc(Cl)ccc2O)nnc1-c1c(F)cccc1F.
What is the InChIKey of 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol?
The InChIKey is IKUVWQRKBYVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O/c1-21-13(11-7(16)3-2-4-8(11)17)19-20-14(21)12-9(22)5-6-10(15)18-12/h2-6,22H,1H3.
What are the key properties of 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol?
6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol has a molecular weight of 322.70 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridin-3-ol is sourced from PubChem (CID 171547938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).