3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine

C14H6Cl2F6N2 — CID 53396566

IUPAC3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(C=Cc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H6Cl2F6N2/c15-9-3-7(13(17,18)19)5-23-11(9)1-2-12-10(16)4-8(6-24-12)14(20,21)22/h1-6H
InChIKeyKTEYVJKEJZYMFK-UHFFFAOYSA-N
MW387.11 g/mol
LogP5.99
Rot. Bonds2

About 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine (PubChem CID 53396566) has the molecular formula C14H6Cl2F6N2 and a molecular weight of 387.11 g/mol. Its IUPAC name is 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
PubChem CID53396566
Molecular FormulaC14H6Cl2F6N2
Molecular Weight387.11 g/mol
Exact Mass385.98
IUPAC Name3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(C=Cc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H6Cl2F6N2/c15-9-3-7(13(17,18)19)5-23-11(9)1-2-12-10(16)4-8(6-24-12)14(20,21)22/h1-6H
InChIKeyKTEYVJKEJZYMFK-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.11
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
CID 1486861
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline
CID 1486865
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
CID 70973027
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine (CID 53396566) is 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(C=Cc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is KTEYVJKEJZYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F6N2/c15-9-3-7(13(17,18)19)5-23-11(9)1-2-12-10(16)4-8(6-24-12)14(20,21)22/h1-6H.
What are the key properties of 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 387.11 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 53396566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).