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

C12H7ClF4N2O — CID 102746895

IUPAC5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cc(Cl)cnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H7ClF4N2O/c13-6-3-10(18)11(19-5-6)20-7-1-2-9(14)8(4-7)12(15,16)17/h1-5H,18H2
InChIKeyFQOUOCXEYPGVQJ-UHFFFAOYSA-N
MW306.65 g/mol
LogP4.27
Rot. Bonds2

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

5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 102746895) has the molecular formula C12H7ClF4N2O and a molecular weight of 306.65 g/mol. Its IUPAC name is 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID102746895
Molecular FormulaC12H7ClF4N2O
Molecular Weight306.65 g/mol
Exact Mass306.02
IUPAC Name5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cc(Cl)cnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H7ClF4N2O/c13-6-3-10(18)11(19-5-6)20-7-1-2-9(14)8(4-7)12(15,16)17/h1-5H,18H2
InChIKeyFQOUOCXEYPGVQJ-UHFFFAOYSA-N
XLogP4.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 102746895) is 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1cc(Cl)cnc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is FQOUOCXEYPGVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N2O/c13-6-3-10(18)11(19-5-6)20-7-1-2-9(14)8(4-7)12(15,16)17/h1-5H,18H2.
What are the key properties of 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 306.65 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 102746895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).