methyl 6-amino-4-phenylpyridine-2-carboxylate

C13H12N2O2 — CID 133098299

IUPACmethyl 6-amino-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(N)n1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)11-7-10(8-12(14)15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15)
InChIKeyQIXYPHHNBDAKHJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.12
Rot. Bonds2

About methyl 6-amino-4-phenylpyridine-2-carboxylate

methyl 6-amino-4-phenylpyridine-2-carboxylate (PubChem CID 133098299) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 6-amino-4-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-phenylpyridine-2-carboxylate
PubChem CID133098299
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 6-amino-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(N)n1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)11-7-10(8-12(14)15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15)
InChIKeyQIXYPHHNBDAKHJ-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
6-methoxy-4-phenylpyridin-2-amine
CID 118992617
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 2-amino-4-phenylbenzoate
CID 53412316
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-4-phenylpyridine-2-carboxylate (CID 133098299) is methyl 6-amino-4-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-4-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-4-phenylpyridine-2-carboxylate is COC(=O)c1cc(-c2ccccc2)cc(N)n1.
What is the InChIKey of methyl 6-amino-4-phenylpyridine-2-carboxylate?
The InChIKey is QIXYPHHNBDAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(16)11-7-10(8-12(14)15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15).
What are the key properties of methyl 6-amino-4-phenylpyridine-2-carboxylate?
methyl 6-amino-4-phenylpyridine-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-4-phenylpyridine-2-carboxylate is sourced from PubChem (CID 133098299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).