methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C15H12ClF3N2O2 — CID 59443817

IUPACmethyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl
InChIInChI=1S/C15H12ClF3N2O2/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19/h4,6-7H,2-3,5H2,1H3
InChIKeyQJNYAQBADHGFJV-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.36
Rot. Bonds2

About methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 59443817) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID59443817
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Namemethyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl
InChIInChI=1S/C15H12ClF3N2O2/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19/h4,6-7H,2-3,5H2,1H3
InChIKeyQJNYAQBADHGFJV-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 59443817) is methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.
What is the InChIKey of methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QJNYAQBADHGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-14(22)11-12(16)21-7-9(8-4-2-3-5-8)6-10(13(21)20-11)15(17,18)19/h4,6-7H,2-3,5H2,1H3.
What are the key properties of methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 344.72 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 59443817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).