(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate

C16H14ClN3O3 — CID 2998538

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C16H14ClN3O3/c1-2-22-15-13(4-3-7-18-15)16(21)23-10-12-9-20-8-11(17)5-6-14(20)19-12/h3-9H,2,10H2,1H3
InChIKeyNKRNVINSQXBVMV-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.14
Rot. Bonds5

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2998538) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2998538
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C16H14ClN3O3/c1-2-22-15-13(4-3-7-18-15)16(21)23-10-12-9-20-8-11(17)5-6-14(20)19-12/h3-9H,2,10H2,1H3
InChIKeyNKRNVINSQXBVMV-UHFFFAOYSA-N
XLogP3.14
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 2998538) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is NKRNVINSQXBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-2-22-15-13(4-3-7-18-15)16(21)23-10-12-9-20-8-11(17)5-6-14(20)19-12/h3-9H,2,10H2,1H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 331.76 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2998538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).