N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

C13H9F5N2 — CID 82811102

IUPACN-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1cccc(F)c1CNc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F5N2/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(20-6-8)13(16,17)18/h1-6,19H,7H2
InChIKeyNFMVFUJYPMXCMF-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.99
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811102) has the molecular formula C13H9F5N2 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811102
Molecular FormulaC13H9F5N2
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1cccc(F)c1CNc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9F5N2/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(20-6-8)13(16,17)18/h1-6,19H,7H2
InChIKeyNFMVFUJYPMXCMF-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]phenol
CID 82812257
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810952
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82794611
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82810692
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811775

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82811102) is N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is Fc1cccc(F)c1CNc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is NFMVFUJYPMXCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(20-6-8)13(16,17)18/h1-6,19H,7H2.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 288.22 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).