5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine

C12H11BrFN3 — CID 103517644

IUPAC5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2c(N)cncc2Br)cc1F
InChIInChI=1S/C12H11BrFN3/c1-7-2-3-8(4-10(7)14)17-12-9(13)5-16-6-11(12)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyNHWLKICDXULVOB-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

About 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine

5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine (PubChem CID 103517644) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine
PubChem CID103517644
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2c(N)cncc2Br)cc1F
InChIInChI=1S/C12H11BrFN3/c1-7-2-3-8(4-10(7)14)17-12-9(13)5-16-6-11(12)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyNHWLKICDXULVOB-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

CID 16251030
CID 16251030
CID 97232
CID 97232
CID 872016
CID 872016
CID 44393022
CID 44393022
CID 44474281
CID 44474281
CID 76317626
CID 76317626
CID 76328514
CID 76328514
CID 29067452
CID 29067452
CID 742774
CID 742774
CID 71695412
CID 71695412
CID 172408456
CID 172408456
CID 871961
CID 871961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine (CID 103517644) is 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine is Cc1ccc(Nc2c(N)cncc2Br)cc1F.
What is the InChIKey of 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine?
The InChIKey is NHWLKICDXULVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-2-3-8(4-10(7)14)17-12-9(13)5-16-6-11(12)15/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine?
5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-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 5-bromo-4-N-(3-fluoro-4-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).