methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate

C13H10ClN3O3 — CID 71245215

IUPACmethyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1cc(Cl)cc(C(N)=O)n1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)11-8(3-2-4-16-11)9-5-7(14)6-10(17-9)12(15)18/h2-6H,1H3,(H2,15,18)
InChIKeyVHEOBNJGUBJLHT-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate

methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate (PubChem CID 71245215) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
PubChem CID71245215
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Namemethyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1cc(Cl)cc(C(N)=O)n1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)11-8(3-2-4-16-11)9-5-7(14)6-10(17-9)12(15)18/h2-6H,1H3,(H2,15,18)
InChIKeyVHEOBNJGUBJLHT-UHFFFAOYSA-N
XLogP1.68
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate (CID 71245215) is methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate is COC(=O)c1ncccc1-c1cc(Cl)cc(C(N)=O)n1.
What is the InChIKey of methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate?
The InChIKey is VHEOBNJGUBJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-20-13(19)11-8(3-2-4-16-11)9-5-7(14)6-10(17-9)12(15)18/h2-6H,1H3,(H2,15,18).
What are the key properties of methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate?
methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 71245215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).