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

C13H11BrF2N2 — CID 113379891

IUPAC6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cc(NCc2cc(F)ccc2F)cnc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8-4-11(7-18-13(8)14)17-6-9-5-10(15)2-3-12(9)16/h2-5,7,17H,6H2,1H3
InChIKeyYPMFJHAILRZJOM-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.04
Rot. Bonds3

About 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine

6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 113379891) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
PubChem CID113379891
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cc(NCc2cc(F)ccc2F)cnc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8-4-11(7-18-13(8)14)17-6-9-5-10(15)2-3-12(9)16/h2-5,7,17H,6H2,1H3
InChIKeyYPMFJHAILRZJOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
CID 113379903
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
4-bromo-N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43680371
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine (CID 113379891) is 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine is Cc1cc(NCc2cc(F)ccc2F)cnc1Br.
What is the InChIKey of 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is YPMFJHAILRZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-8-4-11(7-18-13(8)14)17-6-9-5-10(15)2-3-12(9)16/h2-5,7,17H,6H2,1H3.
What are the key properties of 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine?
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-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 6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 113379891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).