6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine

C13H9BrClFN4 — CID 142703146

IUPAC6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine
SMILESNc1nn(Cc2c(F)cccc2Cl)c2cc(Br)cnc12
InChIInChI=1S/C13H9BrClFN4/c14-7-4-11-12(18-5-7)13(17)19-20(11)6-8-9(15)2-1-3-10(8)16/h1-5H,6H2,(H2,17,19)
InChIKeyZEHARTDWKVQOPD-UHFFFAOYSA-N
MW355.60 g/mol
LogP3.62
Rot. Bonds2

About 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine

6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 142703146) has the molecular formula C13H9BrClFN4 and a molecular weight of 355.60 g/mol. Its IUPAC name is 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine
PubChem CID142703146
Molecular FormulaC13H9BrClFN4
Molecular Weight355.60 g/mol
Exact Mass353.97
IUPAC Name6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine
SMILESNc1nn(Cc2c(F)cccc2Cl)c2cc(Br)cnc12
InChIInChI=1S/C13H9BrClFN4/c14-7-4-11-12(18-5-7)13(17)19-20(11)6-8-9(15)2-1-3-10(8)16/h1-5H,6H2,(H2,17,19)
InChIKeyZEHARTDWKVQOPD-UHFFFAOYSA-N
XLogP3.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine
CID 118105176
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
3,5-bis(3-bromophenyl)-4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazole
CID 19586537
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one
CID 66308093
5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
CID 90070689
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331782

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine (CID 142703146) is 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine is Nc1nn(Cc2c(F)cccc2Cl)c2cc(Br)cnc12.
What is the InChIKey of 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ZEHARTDWKVQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN4/c14-7-4-11-12(18-5-7)13(17)19-20(11)6-8-9(15)2-1-3-10(8)16/h1-5H,6H2,(H2,17,19).
What are the key properties of 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine?
6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 355.60 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 142703146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).