3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine

C12H9BrF2N2 — CID 105367615

IUPAC3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrF2N2/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17)
InChIKeyYIPSDFXYFWRRPL-UHFFFAOYSA-N
MW299.12 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine

3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine (PubChem CID 105367615) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
PubChem CID105367615
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrF2N2/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17)
InChIKeyYIPSDFXYFWRRPL-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
CID 84604430
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 105367590
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine (CID 105367615) is 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine is Cc1cnc(Nc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine?
The InChIKey is YIPSDFXYFWRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c1-7-4-9(13)12(16-6-7)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine?
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine has a molecular weight of 299.12 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105367615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).