methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate

C13H12ClN3O2 — CID 114405170

IUPACmethyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-10(15)12(17-11)16-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3,(H,16,17)
InChIKeyICWYIOIUJHYHKK-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.85
Rot. Bonds3

About methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate

methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate (PubChem CID 114405170) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
PubChem CID114405170
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Namemethyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-10(15)12(17-11)16-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3,(H,16,17)
InChIKeyICWYIOIUJHYHKK-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-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 79020853
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate (CID 114405170) is methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate?
The InChIKey is ICWYIOIUJHYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-13(18)11-7-6-10(15)12(17-11)16-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(4-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-(4-chloroanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).