5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine

C12H8F4N2 — CID 25184302

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H8F4N2/c13-10-3-1-7(5-9(10)12(14,15)16)8-2-4-11(17)18-6-8/h1-6H,(H2,17,18)
InChIKeySGFLDGZWLFMWLZ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.49
Rot. Bonds1

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine

5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 25184302) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID25184302
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H8F4N2/c13-10-3-1-7(5-9(10)12(14,15)16)8-2-4-11(17)18-6-8/h1-6H,(H2,17,18)
InChIKeySGFLDGZWLFMWLZ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 66823352
5-(4-fluorophenyl)pyridin-2-amine
CID 22504802
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
4-(6-amino-3-pyridinyl)benzene-1,2-diamine
CID 144882064
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289630

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 25184302) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is SGFLDGZWLFMWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-10-3-1-7(5-9(10)12(14,15)16)8-2-4-11(17)18-6-8/h1-6H,(H2,17,18).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine?
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 256.20 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 25184302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).