2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine

C11H8BrClFN3 — CID 114046311

IUPAC2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc(F)c(Br)c2)c(Cl)c1
InChIInChI=1S/C11H8BrClFN3/c12-8-4-7(1-2-10(8)14)17-11-9(13)3-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyUPBZJKAULQRNBK-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.96
Rot. Bonds2

About 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine

2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine (PubChem CID 114046311) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
PubChem CID114046311
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc(F)c(Br)c2)c(Cl)c1
InChIInChI=1S/C11H8BrClFN3/c12-8-4-7(1-2-10(8)14)17-11-9(13)3-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyUPBZJKAULQRNBK-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
CID 82490180
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554
2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
CID 114046080

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine (CID 114046311) is 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine is Nc1cnc(Nc2ccc(F)c(Br)c2)c(Cl)c1.
What is the InChIKey of 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine?
The InChIKey is UPBZJKAULQRNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c12-8-4-7(1-2-10(8)14)17-11-9(13)3-6(15)5-16-11/h1-5H,15H2,(H,16,17).
What are the key properties of 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine?
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine has a molecular weight of 316.56 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine is sourced from PubChem (CID 114046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).