3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine

C13H12BrFN2 — CID 105367875

IUPAC3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c1-9-7-10(14)13(16-8-9)17(2)12-6-4-3-5-11(12)15/h3-8H,1-2H3
InChIKeyIIVXEUMXYXUWCI-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.06
Rot. Bonds2

About 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine

3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine (PubChem CID 105367875) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
PubChem CID105367875
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c1-9-7-10(14)13(16-8-9)17(2)12-6-4-3-5-11(12)15/h3-8H,1-2H3
InChIKeyIIVXEUMXYXUWCI-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367909
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
CID 113367248
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 79728401
N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
CID 114835457
5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80908250
N-(2-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648957
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine (CID 105367875) is 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine is Cc1cnc(N(C)c2ccccc2F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine?
The InChIKey is IIVXEUMXYXUWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-9-7-10(14)13(16-8-9)17(2)12-6-4-3-5-11(12)15/h3-8H,1-2H3.
What are the key properties of 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine?
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine has a molecular weight of 295.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 105367875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).