N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

C13H9BrF4N2 — CID 82812048

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1cc(Br)ccc1CNc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9BrF4N2/c14-9-2-1-8(11(15)5-9)6-19-10-3-4-12(20-7-10)13(16,17)18/h1-5,7,19H,6H2
InChIKeyDKVKRGASYCCWNL-UHFFFAOYSA-N
MW349.13 g/mol
LogP4.61
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82812048) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82812048
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1cc(Br)ccc1CNc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9BrF4N2/c14-9-2-1-8(11(15)5-9)6-19-10-3-4-12(20-7-10)13(16,17)18/h1-5,7,19H,6H2
InChIKeyDKVKRGASYCCWNL-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 43242984
N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 43234278
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
CID 149012639
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674384
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43725626
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]acetic acid
CID 11537371
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
4-[(4-bromo-2-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788521

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82812048) is N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is Fc1cc(Br)ccc1CNc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is DKVKRGASYCCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c14-9-2-1-8(11(15)5-9)6-19-10-3-4-12(20-7-10)13(16,17)18/h1-5,7,19H,6H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 349.13 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82812048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).