methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate

C13H12ClN3O2 — CID 114405187

IUPACmethyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-9(15)12(17-11)16-10-5-3-2-4-8(10)14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyKTOWSKVKTLXAIO-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.85
Rot. Bonds3

About methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate

methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate (PubChem CID 114405187) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
PubChem CID114405187
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Namemethyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-9(15)12(17-11)16-10-5-3-2-4-8(10)14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyKTOWSKVKTLXAIO-UHFFFAOYSA-N
XLogP2.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate (CID 114405187) is methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccccc2Cl)n1.
What is the InChIKey of methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate?
The InChIKey is KTOWSKVKTLXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-9(15)12(17-11)16-10-5-3-2-4-8(10)14/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate has a molecular weight of 277.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).