methyl 3-anilinopyridine-4-carboxylate

C13H12N2O2 — CID 14221935

IUPACmethyl 3-anilinopyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)11-7-8-14-9-12(11)15-10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyOJOHFSRUJABFQM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.61
Rot. Bonds3

About methyl 3-anilinopyridine-4-carboxylate

methyl 3-anilinopyridine-4-carboxylate (PubChem CID 14221935) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 3-anilinopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-anilinopyridine-4-carboxylate
PubChem CID14221935
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-anilinopyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)11-7-8-14-9-12(11)15-10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyOJOHFSRUJABFQM-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-anilinopyridine-3-carboxylate
CID 119016910
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
CID 118969987
3-anilinopyridine-4-carbothioamide
CID 114287995
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
methyl 4-(pyridin-4-ylamino)isoquinoline-8-carboxylate
CID 166422805
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118970275

Frequently Asked Questions

What is the IUPAC name of methyl 3-anilinopyridine-4-carboxylate?
The IUPAC name of methyl 3-anilinopyridine-4-carboxylate (CID 14221935) is methyl 3-anilinopyridine-4-carboxylate.
What is the SMILES notation for methyl 3-anilinopyridine-4-carboxylate?
The canonical SMILES for methyl 3-anilinopyridine-4-carboxylate is COC(=O)c1ccncc1Nc1ccccc1.
What is the InChIKey of methyl 3-anilinopyridine-4-carboxylate?
The InChIKey is OJOHFSRUJABFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(16)11-7-8-14-9-12(11)15-10-5-3-2-4-6-10/h2-9,15H,1H3.
What are the key properties of methyl 3-anilinopyridine-4-carboxylate?
methyl 3-anilinopyridine-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilinopyridine-4-carboxylate is sourced from PubChem (CID 14221935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).