3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine

C12H11BrFN3 — CID 114254112

IUPAC3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Nc2ncc(N)cc2Br)c1F
InChIInChI=1S/C12H11BrFN3/c1-7-3-2-4-10(11(7)14)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKMHRMZWDCWPEPC-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

About 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine

3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine (PubChem CID 114254112) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
PubChem CID114254112
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Nc2ncc(N)cc2Br)c1F
InChIInChI=1S/C12H11BrFN3/c1-7-3-2-4-10(11(7)14)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKMHRMZWDCWPEPC-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

3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643323
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
CID 114250638
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine
CID 114254240
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine (CID 114254112) is 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine is Cc1cccc(Nc2ncc(N)cc2Br)c1F.
What is the InChIKey of 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine?
The InChIKey is KMHRMZWDCWPEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-3-2-4-10(11(7)14)17-12-9(13)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-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 3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 114254112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).