4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine

C12H7ClF2N4 — CID 11778444

IUPAC4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine
SMILESFc1ccc(F)c(Cn2nnc3c(Cl)nccc32)c1
InChIInChI=1S/C12H7ClF2N4/c13-12-11-10(3-4-16-12)19(18-17-11)6-7-5-8(14)1-2-9(7)15/h1-5H,6H2
InChIKeyQEPRBQCUJRSHPS-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine

4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine (PubChem CID 11778444) has the molecular formula C12H7ClF2N4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine
PubChem CID11778444
Molecular FormulaC12H7ClF2N4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine
SMILESFc1ccc(F)c(Cn2nnc3c(Cl)nccc32)c1
InChIInChI=1S/C12H7ClF2N4/c13-12-11-10(3-4-16-12)19(18-17-11)6-7-5-8(14)1-2-9(7)15/h1-5H,6H2
InChIKeyQEPRBQCUJRSHPS-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine (CID 11778444) is 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine is Fc1ccc(F)c(Cn2nnc3c(Cl)nccc32)c1.
What is the InChIKey of 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine?
The InChIKey is QEPRBQCUJRSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4/c13-12-11-10(3-4-16-12)19(18-17-11)6-7-5-8(14)1-2-9(7)15/h1-5H,6H2.
What are the key properties of 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine?
4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine has a molecular weight of 280.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,5-difluorophenyl)methyl]triazolo[4,5-c]pyridine is sourced from PubChem (CID 11778444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).