4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine

C9H6F3N3 — CID 175891499

IUPAC4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine
SMILES[2H]n1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-3-6(1-2-14-8)7-4-13-5-15-7/h1-5H,(H,13,15)/i/hD
InChIKeyVWWCRCWKJMZSBB-DYCDLGHISA-N
MW214.17 g/mol
LogP2.49
Rot. Bonds1

About 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine

4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine (PubChem CID 175891499) has the molecular formula C9H6F3N3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine
PubChem CID175891499
Molecular FormulaC9H6F3N3
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine
SMILES[2H]n1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-3-6(1-2-14-8)7-4-13-5-15-7/h1-5H,(H,13,15)/i/hD
InChIKeyVWWCRCWKJMZSBB-DYCDLGHISA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline
CID 151559909
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
CID 141442757
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
CID 166873743
2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 155483929
2-ethenyl-4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine
CID 145352422
1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
CID 166366462
5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one
CID 166761025

Frequently Asked Questions

What is the IUPAC name of 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine (CID 175891499) is 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine is [2H]n1cnc(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is VWWCRCWKJMZSBB-DYCDLGHISA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)8-3-6(1-2-14-8)7-4-13-5-15-7/h1-5H,(H,13,15)/i/hD.
What are the key properties of 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine?
4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 214.17 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175891499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).