5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine

C13H10BrClN4 — CID 103930561

IUPAC5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
SMILESClc1ncc(NCc2cnn3ccccc23)cc1Br
InChIInChI=1S/C13H10BrClN4/c14-11-5-10(8-17-13(11)15)16-6-9-7-18-19-4-2-1-3-12(9)19/h1-5,7-8,16H,6H2
InChIKeyARHNHCZVGXYGFE-UHFFFAOYSA-N
MW337.61 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine

5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine (PubChem CID 103930561) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
PubChem CID103930561
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
SMILESClc1ncc(NCc2cnn3ccccc23)cc1Br
InChIInChI=1S/C13H10BrClN4/c14-11-5-10(8-17-13(11)15)16-6-9-7-18-19-4-2-1-3-12(9)19/h1-5,7-8,16H,6H2
InChIKeyARHNHCZVGXYGFE-UHFFFAOYSA-N
XLogP3.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 81270312
3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311911
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 107610370
2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 83077478
6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
CID 63312056
2-chloro-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzamide
CID 63315299
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311967
2-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311958
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
CID 63311832
4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine (CID 103930561) is 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine is Clc1ncc(NCc2cnn3ccccc23)cc1Br.
What is the InChIKey of 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The InChIKey is ARHNHCZVGXYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c14-11-5-10(8-17-13(11)15)16-6-9-7-18-19-4-2-1-3-12(9)19/h1-5,7-8,16H,6H2.
What are the key properties of 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine has a molecular weight of 337.61 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 103930561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).