3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine

C12H11BrClN3O — CID 79531691

IUPAC3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)cc2Br)cc1Cl
InChIInChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(5-10(11)14)17-12-9(13)4-7(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyIAVOHGRECCYTPR-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine

3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine (PubChem CID 79531691) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
PubChem CID79531691
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)cc2Br)cc1Cl
InChIInChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(5-10(11)14)17-12-9(13)4-7(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyIAVOHGRECCYTPR-UHFFFAOYSA-N
XLogP3.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine (CID 79531691) is 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine is COc1ccc(Nc2ncc(N)cc2Br)cc1Cl.
What is the InChIKey of 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine?
The InChIKey is IAVOHGRECCYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(5-10(11)14)17-12-9(13)4-7(15)6-16-12/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine has a molecular weight of 328.60 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).