methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate

C13H12ClN3O2 — CID 114194731

IUPACmethyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)10-6-12(15)16-7-11(10)17-9-4-2-3-8(14)5-9/h2-7,17H,1H3,(H2,15,16)
InChIKeyHLOHVBVDWCIDSV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate

methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate (PubChem CID 114194731) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
PubChem CID114194731
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Namemethyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O2/c1-19-13(18)10-6-12(15)16-7-11(10)17-9-4-2-3-8(14)5-9/h2-7,17H,1H3,(H2,15,16)
InChIKeyHLOHVBVDWCIDSV-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

2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
propan-2-yl 5-amino-2-(3-chloroanilino)benzoate
CID 100645280
methyl 2-[3-(2-aminoanilino)-4-(3-chloroanilino)phenyl]benzoate
CID 129200551
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
CID 91621942
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate (CID 114194731) is methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1Nc1cccc(Cl)c1.
What is the InChIKey of methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate?
The InChIKey is HLOHVBVDWCIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-13(18)10-6-12(15)16-7-11(10)17-9-4-2-3-8(14)5-9/h2-7,17H,1H3,(H2,15,16).
What are the key properties of methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate?
methyl 2-amino-5-(3-chloroanilino)pyridine-4-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 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate is sourced from PubChem (CID 114194731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).