2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline

C14H8Cl3F3N2 — CID 1486861

IUPAC2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
SMILESFC(F)(F)c1cnc(C=CNc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl3F3N2/c15-9-1-2-12(11(17)6-9)21-4-3-13-10(16)5-8(7-22-13)14(18,19)20/h1-7,21H
InChIKeyPQHOBVJPBBFCER-UHFFFAOYSA-N
MW367.59 g/mol
LogP6.14
Rot. Bonds3

About 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline

2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline (PubChem CID 1486861) has the molecular formula C14H8Cl3F3N2 and a molecular weight of 367.59 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
PubChem CID1486861
Molecular FormulaC14H8Cl3F3N2
Molecular Weight367.59 g/mol
Exact Mass365.97
IUPAC Name2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
SMILESFC(F)(F)c1cnc(C=CNc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl3F3N2/c15-9-1-2-12(11(17)6-9)21-4-3-13-10(16)5-8(7-22-13)14(18,19)20/h1-7,21H
InChIKeyPQHOBVJPBBFCER-UHFFFAOYSA-N
XLogP6.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.59
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline
CID 1486865
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
CID 172629453
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22534207
methyl 3-(4-chloro-2-fluoroanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
CID 3850728
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 3758411
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline
CID 2768805
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 3743948
2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-4-chlorophenol
CID 28847177
(Z)-3-bromo-4-(2,4-dichloroanilino)-1,1,1-trifluorobut-3-en-2-one
CID 2335486

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline?
The IUPAC name of 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline (CID 1486861) is 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline is FC(F)(F)c1cnc(C=CNc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline?
The InChIKey is PQHOBVJPBBFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2/c15-9-1-2-12(11(17)6-9)21-4-3-13-10(16)5-8(7-22-13)14(18,19)20/h1-7,21H.
What are the key properties of 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline?
2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline has a molecular weight of 367.59 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline is sourced from PubChem (CID 1486861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).