2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine

C11H9BrClN3 — CID 82490180

IUPAC2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3/c12-7-2-1-3-9(4-7)16-11-10(13)5-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeySYLBQNOFODKXOC-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.82
Rot. Bonds2

About 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine

2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine (PubChem CID 82490180) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
PubChem CID82490180
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
SMILESNc1cnc(Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3/c12-7-2-1-3-9(4-7)16-11-10(13)5-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeySYLBQNOFODKXOC-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
6-N-(3-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine
CID 19153003
3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
CID 114046251
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
CID 102750053
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine (CID 82490180) is 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine is Nc1cnc(Nc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine?
The InChIKey is SYLBQNOFODKXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c12-7-2-1-3-9(4-7)16-11-10(13)5-8(14)6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine?
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine has a molecular weight of 298.57 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine is sourced from PubChem (CID 82490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).