4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

C13H12BrFN2 — CID 104821802

IUPAC4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Br)cc2F)cn1
InChIInChI=1S/C13H12BrFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(14)6-12(13)15/h2-7,17H,8H2,1H3
InChIKeyOVNNAKCGTBJSDT-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.90
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104821802) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104821802
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Br)cc2F)cn1
InChIInChI=1S/C13H12BrFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(14)6-12(13)15/h2-7,17H,8H2,1H3
InChIKeyOVNNAKCGTBJSDT-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 107286240
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
4-bromo-N-[(3,4-dibromophenyl)methyl]-2-fluoroaniline
CID 113483233
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63203814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104821802) is 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2ccc(Br)cc2F)cn1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is OVNNAKCGTBJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(14)6-12(13)15/h2-7,17H,8H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 295.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104821802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).