6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H8ClFN4 — CID 82556448

IUPAC6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(-c3ccc(F)c(Cl)c3)cn2n1
InChIInChI=1S/C12H8ClFN4/c13-9-5-7(1-3-10(9)14)8-2-4-11-16-12(15)17-18(11)6-8/h1-6H,(H2,15,17)
InChIKeyCMDBDQOJXNVOTJ-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.77
Rot. Bonds1

About 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82556448) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82556448
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(-c3ccc(F)c(Cl)c3)cn2n1
InChIInChI=1S/C12H8ClFN4/c13-9-5-7(1-3-10(9)14)8-2-4-11-16-12(15)17-18(11)6-8/h1-6H,(H2,15,17)
InChIKeyCMDBDQOJXNVOTJ-UHFFFAOYSA-N
XLogP2.77
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82556448) is 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2ccc(-c3ccc(F)c(Cl)c3)cn2n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CMDBDQOJXNVOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-9-5-7(1-3-10(9)14)8-2-4-11-16-12(15)17-18(11)6-8/h1-6H,(H2,15,17).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82556448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).