methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate

C9H7ClN2O2 — CID 146193908

IUPACmethyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-8-11-2-3-12(8)5-7(6)10/h2-5H,1H3
InChIKeyTTZRTEQNJBSWQZ-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds1

About methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate

methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 146193908) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID146193908
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-8-11-2-3-12(8)5-7(6)10/h2-5H,1H3
InChIKeyTTZRTEQNJBSWQZ-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxyimidazo[1,2-a]pyridine-6-carboxylate
CID 76849673
7-methoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 76849672
6-chloro-7-fluoroimidazo[1,2-a]pyridine
CID 149368150
methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
CID 22313263
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
2-(7-chloroimidazo[1,2-a]pyridin-6-yl)oxyacetaldehyde
CID 166925831
6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
CID 172632192
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 2-chloro-5-(3-methyl-1,2,4-triazol-1-yl)benzoate
CID 166607583

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate (CID 146193908) is methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc2nccn2cc1Cl.
What is the InChIKey of methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is TTZRTEQNJBSWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-8-11-2-3-12(8)5-7(6)10/h2-5H,1H3.
What are the key properties of methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate?
methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 146193908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).