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

C14H11BrClN3 — CID 81270312

IUPAC2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2cnn3ccccc23)c1
InChIInChI=1S/C14H11BrClN3/c15-12-5-4-11(16)7-13(12)17-8-10-9-18-19-6-2-1-3-14(10)19/h1-7,9,17H,8H2
InChIKeyQPEBFHSZHLCKRB-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.36
Rot. Bonds3

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

2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 81270312) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID81270312
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2cnn3ccccc23)c1
InChIInChI=1S/C14H11BrClN3/c15-12-5-4-11(16)7-13(12)17-8-10-9-18-19-6-2-1-3-14(10)19/h1-7,9,17H,8H2
InChIKeyQPEBFHSZHLCKRB-UHFFFAOYSA-N
XLogP4.36
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311794
4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311796
5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
CID 103930561
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 107610370
2,3-difluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315086
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 83077478
4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
CID 63312195
2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312144
8-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 126774805
2-[2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)phenyl]acetamide
CID 63315386
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 81270312) is 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is Clc1ccc(Br)c(NCc2cnn3ccccc23)c1.
What is the InChIKey of 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is QPEBFHSZHLCKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c15-12-5-4-11(16)7-13(12)17-8-10-9-18-19-6-2-1-3-14(10)19/h1-7,9,17H,8H2.
What are the key properties of 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 336.62 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 81270312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).