3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine

C11H5ClF7N3 — CID 19892779

IUPAC3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)C(F)(F)c1cn(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C11H5ClF7N3/c12-6-1-5(11(17,18)19)2-20-8(6)22-3-7(21-4-22)10(15,16)9(13)14/h1-4,9H
InChIKeyOGSIKTVAFBCJST-UHFFFAOYSA-N
MW347.62 g/mol
LogP4.30
Rot. Bonds3

About 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 19892779) has the molecular formula C11H5ClF7N3 and a molecular weight of 347.62 g/mol. Its IUPAC name is 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID19892779
Molecular FormulaC11H5ClF7N3
Molecular Weight347.62 g/mol
Exact Mass347.01
IUPAC Name3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)C(F)(F)c1cn(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C11H5ClF7N3/c12-6-1-5(11(17,18)19)2-20-8(6)22-3-7(21-4-22)10(15,16)9(13)14/h1-4,9H
InChIKeyOGSIKTVAFBCJST-UHFFFAOYSA-N
XLogP4.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine
CID 91332850
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
CID 43531727
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine
CID 83216893
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43168608
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 60641606
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 69085891
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine (CID 19892779) is 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine is FC(F)C(F)(F)c1cn(-c2ncc(C(F)(F)F)cc2Cl)cn1.
What is the InChIKey of 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is OGSIKTVAFBCJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF7N3/c12-6-1-5(11(17,18)19)2-20-8(6)22-3-7(21-4-22)10(15,16)9(13)14/h1-4,9H.
What are the key properties of 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 347.62 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).