4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

C13H9ClF4N2 — CID 83166741

IUPAC4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESFc1cc(CNc2cnccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF4N2/c14-11-1-2-19-7-12(11)20-6-8-3-9(13(16,17)18)5-10(15)4-8/h1-5,7,20H,6H2
InChIKeyQUHLJDJWDGLCLE-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.51
Rot. Bonds3

About 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 83166741) has the molecular formula C13H9ClF4N2 and a molecular weight of 304.67 g/mol. Its IUPAC name is 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
PubChem CID83166741
Molecular FormulaC13H9ClF4N2
Molecular Weight304.67 g/mol
Exact Mass304.04
IUPAC Name4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESFc1cc(CNc2cnccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF4N2/c14-11-1-2-19-7-12(11)20-6-8-3-9(13(16,17)18)5-10(15)4-8/h1-5,7,20H,6H2
InChIKeyQUHLJDJWDGLCLE-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350293
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
3-bromo-4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350701
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
1-[2-(4-chlorophenyl)ethyl]-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea
CID 3809296
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415122
3-bromo-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350222
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (CID 83166741) is 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is Fc1cc(CNc2cnccc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is QUHLJDJWDGLCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2/c14-11-1-2-19-7-12(11)20-6-8-3-9(13(16,17)18)5-10(15)4-8/h1-5,7,20H,6H2.
What are the key properties of 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 304.67 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 83166741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).