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

C13H9ClF4N2 — CID 102715459

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H9ClF4N2/c14-11-5-9(13(16,17)18)6-12(20-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,19,20)
InChIKeyAHNVDXNPLIEMPD-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.51
Rot. Bonds3

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

6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715459) has the molecular formula C13H9ClF4N2 and a molecular weight of 304.67 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715459
Molecular FormulaC13H9ClF4N2
Molecular Weight304.67 g/mol
Exact Mass304.04
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H9ClF4N2/c14-11-5-9(13(16,17)18)6-12(20-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,19,20)
InChIKeyAHNVDXNPLIEMPD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102715459) is 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is Fc1ccccc1CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AHNVDXNPLIEMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2/c14-11-5-9(13(16,17)18)6-12(20-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,19,20).
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-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 6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).