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

C12H11BrFN3 — CID 66278195

IUPAC2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(Br)cc2F)c(N)c1
InChIInChI=1S/C12H11BrFN3/c1-7-4-10(15)12(16-6-7)17-11-3-2-8(13)5-9(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKHHJDNXNTMVZFJ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

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

2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine (PubChem CID 66278195) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
PubChem CID66278195
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(Br)cc2F)c(N)c1
InChIInChI=1S/C12H11BrFN3/c1-7-4-10(15)12(16-6-7)17-11-3-2-8(13)5-9(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKHHJDNXNTMVZFJ-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
CID 66280391
1-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 55131320
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol
CID 82059602

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine (CID 66278195) is 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine is Cc1cnc(Nc2ccc(Br)cc2F)c(N)c1.
What is the InChIKey of 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine?
The InChIKey is KHHJDNXNTMVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-4-10(15)12(16-6-7)17-11-3-2-8(13)5-9(11)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine?
2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine has a molecular weight of 296.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66278195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).