2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline

C13H11BrF2N2 — CID 102880726

IUPAC2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C13H11BrF2N2/c1-8-2-9(6-17-5-8)7-18-13-11(14)3-10(15)4-12(13)16/h2-6,18H,7H2,1H3
InChIKeyWNGMKLZVSZXJPP-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline

2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline (PubChem CID 102880726) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
PubChem CID102880726
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C13H11BrF2N2/c1-8-2-9(6-17-5-8)7-18-13-11(14)3-10(15)4-12(13)16/h2-6,18H,7H2,1H3
InChIKeyWNGMKLZVSZXJPP-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

2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-(2-bromo-4,6-difluoroanilino)acetonitrile
CID 43168321
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline (CID 102880726) is 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline is Cc1cncc(CNc2c(F)cc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is WNGMKLZVSZXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-8-2-9(6-17-5-8)7-18-13-11(14)3-10(15)4-12(13)16/h2-6,18H,7H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline 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 2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 102880726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).