methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate

C13H10ClN3O3 — CID 66848725

IUPACmethyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)9-3-2-4-11(16-9)17-12(18)10-7-8(14)5-6-15-10/h2-7H,1H3,(H,16,17,18)
InChIKeyIGWDKOXCZPLXDJ-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.17
Rot. Bonds3

About methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate

methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 66848725) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate
PubChem CID66848725
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Namemethyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)9-3-2-4-11(16-9)17-12(18)10-7-8(14)5-6-15-10/h2-7H,1H3,(H,16,17,18)
InChIKeyIGWDKOXCZPLXDJ-UHFFFAOYSA-N
XLogP2.17
TPSA81.18 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate (CID 66848725) is methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is IGWDKOXCZPLXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-20-13(19)9-3-2-4-11(16-9)17-12(18)10-7-8(14)5-6-15-10/h2-7H,1H3,(H,16,17,18).
What are the key properties of methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate?
methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 66848725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).