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

C12H11BrClN3 — CID 114046080

IUPAC2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
SMILESCc1ccc(Nc2ncc(N)cc2Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3/c1-7-2-3-11(9(13)4-7)17-12-10(14)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyGRVWGSYFIZRBKC-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.13
Rot. Bonds2

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

2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine (PubChem CID 114046080) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
PubChem CID114046080
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
SMILESCc1ccc(Nc2ncc(N)cc2Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3/c1-7-2-3-11(9(13)4-7)17-12-10(14)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyGRVWGSYFIZRBKC-UHFFFAOYSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
CID 61358200
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
N-(2-bromo-4-methylphenyl)-5-chloropyridin-2-amine
CID 66220531
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
CID 82490180
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
CID 107607834
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
CID 114046251

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine (CID 114046080) is 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine is Cc1ccc(Nc2ncc(N)cc2Cl)c(Br)c1.
What is the InChIKey of 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine?
The InChIKey is GRVWGSYFIZRBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-2-3-11(9(13)4-7)17-12-10(14)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine?
2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine has a molecular weight of 312.60 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine is sourced from PubChem (CID 114046080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).