4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

C14H13F2N3 — CID 11196277

IUPAC4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(CC(F)F)c(C)n2)ccn1
InChIInChI=1S/C14H13F2N3/c1-10-7-12(5-6-17-10)3-4-13-8-19(9-14(15)16)11(2)18-13/h5-8,14H,9H2,1-2H3
InChIKeyBVQXEPKBGFNUNE-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.56
Rot. Bonds2

About 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (PubChem CID 11196277) has the molecular formula C14H13F2N3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
PubChem CID11196277
Molecular FormulaC14H13F2N3
Molecular Weight261.27 g/mol
Exact Mass261.11
IUPAC Name4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(CC(F)F)c(C)n2)ccn1
InChIInChI=1S/C14H13F2N3/c1-10-7-12(5-6-17-10)3-4-13-8-19(9-14(15)16)11(2)18-13/h5-8,14H,9H2,1-2H3
InChIKeyBVQXEPKBGFNUNE-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10017970
4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10245173
2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595317
2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
CID 10450985
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
4-[2-(3-bromo-4-fluorophenyl)ethynyl]-2-methylpyridine
CID 59763879
6-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-3-methylpyrimidin-4-one
CID 58111179
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The IUPAC name of 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (CID 11196277) is 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.
What is the SMILES notation for 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The canonical SMILES for 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is Cc1cc(C#Cc2cn(CC(F)F)c(C)n2)ccn1.
What is the InChIKey of 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The InChIKey is BVQXEPKBGFNUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c1-10-7-12(5-6-17-10)3-4-13-8-19(9-14(15)16)11(2)18-13/h5-8,14H,9H2,1-2H3.
What are the key properties of 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine has a molecular weight of 261.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is sourced from PubChem (CID 11196277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).