2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol

C9H9ClFN3O — CID 178121998

IUPAC2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol
SMILESCC(C)(O)c1cn2nc(Cl)nc2cc1F
InChIInChI=1S/C9H9ClFN3O/c1-9(2,15)5-4-14-7(3-6(5)11)12-8(10)13-14/h3-4,15H,1-2H3
InChIKeyPYCSRPPMVPILCT-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.75
Rot. Bonds1

About 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol

2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol (PubChem CID 178121998) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol
PubChem CID178121998
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC Name2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol
SMILESCC(C)(O)c1cn2nc(Cl)nc2cc1F
InChIInChI=1S/C9H9ClFN3O/c1-9(2,15)5-4-14-7(3-6(5)11)12-8(10)13-14/h3-4,15H,1-2H3
InChIKeyPYCSRPPMVPILCT-UHFFFAOYSA-N
XLogP1.75
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol?
The IUPAC name of 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol (CID 178121998) is 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol is CC(C)(O)c1cn2nc(Cl)nc2cc1F.
What is the InChIKey of 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol?
The InChIKey is PYCSRPPMVPILCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c1-9(2,15)5-4-14-7(3-6(5)11)12-8(10)13-14/h3-4,15H,1-2H3.
What are the key properties of 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol?
2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol has a molecular weight of 229.64 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-ol is sourced from PubChem (CID 178121998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).