6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H8F4N2 — CID 61229555

IUPAC6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1cccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F4N2/c13-10-2-1-3-11(18-10)17-9-6-4-8(5-7-9)12(14,15)16/h1-7H,(H,17,18)
InChIKeyHKEJEVQHIRBRFC-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.98
Rot. Bonds2

About 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 61229555) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID61229555
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1cccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F4N2/c13-10-2-1-3-11(18-10)17-9-6-4-8(5-7-9)12(14,15)16/h1-7H,(H,17,18)
InChIKeyHKEJEVQHIRBRFC-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.98
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-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118094837
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
CID 61227803
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 103467409
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol
CID 118101535
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
4-N-(2-amino-3-fluorophenyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158865557

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 61229555) is 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is Fc1cccc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is HKEJEVQHIRBRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-10-2-1-3-11(18-10)17-9-6-4-8(5-7-9)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 256.20 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 61229555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).