2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine

C17H10Cl2FN3 — CID 86595317

IUPAC2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
SMILESCc1nc(C#Cc2ccnc(Cl)c2)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H10Cl2FN3/c1-11-22-13(3-2-12-6-7-21-17(19)8-12)10-23(11)14-4-5-16(20)15(18)9-14/h4-10H,1H3
InChIKeyWKANHNSWSOMISO-UHFFFAOYSA-N
MW346.19 g/mol
LogP4.42
Rot. Bonds1

About 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine

2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine (PubChem CID 86595317) has the molecular formula C17H10Cl2FN3 and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
PubChem CID86595317
Molecular FormulaC17H10Cl2FN3
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
SMILESCc1nc(C#Cc2ccnc(Cl)c2)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H10Cl2FN3/c1-11-22-13(3-2-12-6-7-21-17(19)8-12)10-23(11)14-4-5-16(20)15(18)9-14/h4-10H,1H3
InChIKeyWKANHNSWSOMISO-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
5-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-methylpyridazin-3-one
CID 58111197
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10017970
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]pyrazine
CID 11770899
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009
6-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-3-methylpyrimidin-4-one
CID 58111179
4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-6-prop-2-enoxypyrazine
CID 86649883
2-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]-5-fluoropyrimidine
CID 11335964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The IUPAC name of 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine (CID 86595317) is 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine is Cc1nc(C#Cc2ccnc(Cl)c2)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The InChIKey is WKANHNSWSOMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3/c1-11-22-13(3-2-12-6-7-21-17(19)8-12)10-23(11)14-4-5-16(20)15(18)9-14/h4-10H,1H3.
What are the key properties of 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine has a molecular weight of 346.19 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine is sourced from PubChem (CID 86595317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).