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

C13H11BrF2N2 — CID 105366846

IUPAC3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C13H11BrF2N2/c1-8-4-10(14)13(17-6-8)18-7-9-2-3-11(15)12(16)5-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyAHSDLRRQLPWCMG-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.04
Rot. Bonds3

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

3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine (PubChem CID 105366846) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
PubChem CID105366846
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C13H11BrF2N2/c1-8-4-10(14)13(17-6-8)18-7-9-2-3-11(15)12(16)5-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyAHSDLRRQLPWCMG-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-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
5-bromo-N-[(3,4-difluorophenyl)methyl]isoquinolin-1-amine
CID 106538164
2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
CID 113452020
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine (CID 105366846) is 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine is Cc1cnc(NCc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is AHSDLRRQLPWCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-8-4-10(14)13(17-6-8)18-7-9-2-3-11(15)12(16)5-9/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine?
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-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 3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105366846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).