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

C13H11BrF2N2 — CID 115773984

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCc2ccc(F)c(F)c2)ncc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8-4-13(18-7-10(8)14)17-6-9-2-3-11(15)12(16)5-9/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyZHRFNMBYBHPGND-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.04
Rot. Bonds3

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

5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 115773984) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
PubChem CID115773984
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCc2ccc(F)c(F)c2)ncc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8-4-13(18-7-10(8)14)17-6-9-2-3-11(15)12(16)5-9/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyZHRFNMBYBHPGND-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342970
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
3-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 113352961
5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine
CID 115147138
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine (CID 115773984) is 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine is Cc1cc(NCc2ccc(F)c(F)c2)ncc1Br.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is ZHRFNMBYBHPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-8-4-13(18-7-10(8)14)17-6-9-2-3-11(15)12(16)5-9/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine?
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 313.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 115773984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).