sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate

C29H19Cl2N4NaO4 — CID 158314385

IUPACsodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(-c3cccc(Cl)c3)nc2c1.O=C([O-])c1ccn2cc(-c3cccc(Cl)c3)nc2c1.[Na+]
InChIInChI=1S/C15H11ClN2O2.C14H9ClN2O2.Na/c1-20-15(19)11-5-6-18-9-13(17-14(18)8-11)10-3-2-4-12(16)7-10;15-11-3-1-2-9(6-11)12-8-17-5-4-10(14(18)19)7-13(17)16-12;/h2-9H,1H3;1-8H,(H,18,19);/q;;+1/p-1
InChIKeyWOVHXHQAAACWAK-UHFFFAOYSA-M
MW581.39 g/mol
LogP2.46
Rot. Bonds4

About sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate

sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 158314385) has the molecular formula C29H19Cl2N4NaO4 and a molecular weight of 581.39 g/mol. Its IUPAC name is sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namesodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID158314385
Molecular FormulaC29H19Cl2N4NaO4
Molecular Weight581.39 g/mol
Exact Mass580.07
IUPAC Namesodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(-c3cccc(Cl)c3)nc2c1.O=C([O-])c1ccn2cc(-c3cccc(Cl)c3)nc2c1.[Na+]
InChIInChI=1S/C15H11ClN2O2.C14H9ClN2O2.Na/c1-20-15(19)11-5-6-18-9-13(17-14(18)8-11)10-3-2-4-12(16)7-10;15-11-3-1-2-9(6-11)12-8-17-5-4-10(14(18)19)7-13(17)16-12;/h2-9H,1H3;1-8H,(H,18,19);/q;;+1/p-1
InChIKeyWOVHXHQAAACWAK-UHFFFAOYSA-M
XLogP2.46
TPSA101.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylate
CID 16195235
Methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359798
Methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
CID 51360003
Methyl 3-benzyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299381
Methyl 2-(3-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299385
Methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299397
Methyl 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299398
Methyl 2-(4-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299399
Methyl 3-[(3-chlorophenyl)methyl]-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299400
Methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299402
Methyl 2-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299517
Methyl 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299525

Frequently Asked Questions

What is the IUPAC name of sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 158314385) is sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(-c3cccc(Cl)c3)nc2c1.O=C([O-])c1ccn2cc(-c3cccc(Cl)c3)nc2c1.[Na+].
What is the InChIKey of sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is WOVHXHQAAACWAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClN2O2.C14H9ClN2O2.Na/c1-20-15(19)11-5-6-18-9-13(17-14(18)8-11)10-3-2-4-12(16)7-10;15-11-3-1-2-9(6-11)12-8-17-5-4-10(14(18)19)7-13(17)16-12;/h2-9H,1H3;1-8H,(H,18,19);/q;;+1/p-1.
What are the key properties of sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 581.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 158314385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).