2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C14H12ClN3 — CID 46882511

IUPAC2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESClc1ccccc1NCc1cnn2ccccc12
InChIInChI=1S/C14H12ClN3/c15-12-5-1-2-6-13(12)16-9-11-10-17-18-8-4-3-7-14(11)18/h1-8,10,16H,9H2
InChIKeyIINGEIZSBIZSLB-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 46882511) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID46882511
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESClc1ccccc1NCc1cnn2ccccc12
InChIInChI=1S/C14H12ClN3/c15-12-5-1-2-6-13(12)16-9-11-10-17-18-8-4-3-7-14(11)18/h1-8,10,16H,9H2
InChIKeyIINGEIZSBIZSLB-UHFFFAOYSA-N
XLogP3.60
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 46882511) is 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is Clc1ccccc1NCc1cnn2ccccc12.
What is the InChIKey of 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is IINGEIZSBIZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-5-1-2-6-13(12)16-9-11-10-17-18-8-4-3-7-14(11)18/h1-8,10,16H,9H2.
What are the key properties of 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 257.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 46882511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).