methyl 2-anilino-1H-pyridine-2-carboxylate

C13H14N2O2 — CID 151544102

IUPACmethyl 2-anilino-1H-pyridine-2-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)C=CC=CN1
InChIInChI=1S/C13H14N2O2/c1-17-12(16)13(9-5-6-10-14-13)15-11-7-3-2-4-8-11/h2-10,14-15H,1H3
InChIKeyPZBYGMQQDZGTIQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.64
Rot. Bonds3

About methyl 2-anilino-1H-pyridine-2-carboxylate

methyl 2-anilino-1H-pyridine-2-carboxylate (PubChem CID 151544102) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-anilino-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-anilino-1H-pyridine-2-carboxylate
PubChem CID151544102
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-anilino-1H-pyridine-2-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)C=CC=CN1
InChIInChI=1S/C13H14N2O2/c1-17-12(16)13(9-5-6-10-14-13)15-11-7-3-2-4-8-11/h2-10,14-15H,1H3
InChIKeyPZBYGMQQDZGTIQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 19960310
dimethyl 1,2-bis(phenylcarbamoyl)diaziridine-3,3-dicarboxylate
CID 576688
methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide
CID 174829110
methyl 3-anilino-2-methylthiane-3-carboxylate
CID 79951242
methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate
CID 150310284
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258
dimethyl 1-benzoyl-3,3-dimethylaziridine-2,2-dicarboxylate
CID 166446380
acetic acid;N-methoxyaniline
CID 174899473
methyl 4-anilino-2,3-dihydrothiochromene-4-carboxylate
CID 60991788
methyl 2-anilinopropanoate
CID 3417283
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 2-anilino-1H-pyridine-2-carboxylate (CID 151544102) is methyl 2-anilino-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 2-anilino-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 2-anilino-1H-pyridine-2-carboxylate is COC(=O)C1(Nc2ccccc2)C=CC=CN1.
What is the InChIKey of methyl 2-anilino-1H-pyridine-2-carboxylate?
The InChIKey is PZBYGMQQDZGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12(16)13(9-5-6-10-14-13)15-11-7-3-2-4-8-11/h2-10,14-15H,1H3.
What are the key properties of methyl 2-anilino-1H-pyridine-2-carboxylate?
methyl 2-anilino-1H-pyridine-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-1H-pyridine-2-carboxylate is sourced from PubChem (CID 151544102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).