3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine

C11H6Br2F2N2 — CID 102854834

IUPAC3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
SMILESFc1cc(F)c(Nc2ccncc2Br)cc1Br
InChIInChI=1S/C11H6Br2F2N2/c12-6-3-11(9(15)4-8(6)14)17-10-1-2-16-5-7(10)13/h1-5H,(H,16,17)
InChIKeyJUJRPQOJQIKLBW-UHFFFAOYSA-N
MW363.99 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine

3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine (PubChem CID 102854834) has the molecular formula C11H6Br2F2N2 and a molecular weight of 363.99 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
PubChem CID102854834
Molecular FormulaC11H6Br2F2N2
Molecular Weight363.99 g/mol
Exact Mass361.89
IUPAC Name3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
SMILESFc1cc(F)c(Nc2ccncc2Br)cc1Br
InChIInChI=1S/C11H6Br2F2N2/c12-6-3-11(9(15)4-8(6)14)17-10-1-2-16-5-7(10)13/h1-5H,(H,16,17)
InChIKeyJUJRPQOJQIKLBW-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.99
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
5-bromo-N-[(3-chloro-4-pyridinyl)methyl]-2,4-difluoroaniline
CID 102853589
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
3-bromo-N-(3,5-dichlorophenyl)pyridin-4-amine
CID 104777922

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine (CID 102854834) is 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine is Fc1cc(F)c(Nc2ccncc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine?
The InChIKey is JUJRPQOJQIKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F2N2/c12-6-3-11(9(15)4-8(6)14)17-10-1-2-16-5-7(10)13/h1-5H,(H,16,17).
What are the key properties of 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine?
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine has a molecular weight of 363.99 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine is sourced from PubChem (CID 102854834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).