2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C14H10Cl2FN3 — CID 83077478

IUPAC2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnn3ccccc23)c(Cl)c1
InChIInChI=1S/C14H10Cl2FN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2
InChIKeyAVQGDJPHVMJIRD-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.39
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 83077478) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID83077478
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2cnn3ccccc23)c(Cl)c1
InChIInChI=1S/C14H10Cl2FN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2
InChIKeyAVQGDJPHVMJIRD-UHFFFAOYSA-N
XLogP4.39
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 83077478) is 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is Fc1cc(Cl)c(NCc2cnn3ccccc23)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is AVQGDJPHVMJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c15-11-5-10(17)6-12(16)14(11)18-7-9-8-19-20-4-2-1-3-13(9)20/h1-6,8,18H,7H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 310.16 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 83077478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).