N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine

C13H12BrFN2O — CID 81432610

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H12BrFN2O/c1-18-13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyOWYAHRVIBDKKFE-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.60
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine

N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine (PubChem CID 81432610) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
PubChem CID81432610
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H12BrFN2O/c1-18-13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyOWYAHRVIBDKKFE-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine (CID 81432610) is N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine is COc1ccc(NCc2ccc(Br)c(F)c2)cn1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is OWYAHRVIBDKKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-18-13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 311.15 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 81432610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).