3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C17H12ClF3N2O — CID 141280117

IUPAC3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccc(-c3ccco3)cc2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N2O/c18-14-8-13(17(19,20)21)10-23-16(14)22-9-11-3-5-12(6-4-11)15-2-1-7-24-15/h1-8,10H,9H2,(H,22,23)
InChIKeyNDRQHNCHAFDKEF-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.63
Rot. Bonds4

About 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 141280117) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID141280117
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccc(-c3ccco3)cc2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N2O/c18-14-8-13(17(19,20)21)10-23-16(14)22-9-11-3-5-12(6-4-11)15-2-1-7-24-15/h1-8,10H,9H2,(H,22,23)
InChIKeyNDRQHNCHAFDKEF-UHFFFAOYSA-N
XLogP5.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 141280117) is 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2ccc(-c3ccco3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NDRQHNCHAFDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-14-8-13(17(19,20)21)10-23-16(14)22-9-11-3-5-12(6-4-11)15-2-1-7-24-15/h1-8,10H,9H2,(H,22,23).
What are the key properties of 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.74 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(furan-2-yl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 141280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).