methyl 2-amino-3-phenylpyridine-4-carboxylate

C13H12N2O2 — CID 133098297

IUPACmethyl 2-amino-3-phenylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)10-7-8-15-12(14)11(10)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15)
InChIKeyAKKSWXGQBOVYCR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.12
Rot. Bonds2

About methyl 2-amino-3-phenylpyridine-4-carboxylate

methyl 2-amino-3-phenylpyridine-4-carboxylate (PubChem CID 133098297) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-amino-3-phenylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-phenylpyridine-4-carboxylate
PubChem CID133098297
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-amino-3-phenylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)10-7-8-15-12(14)11(10)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15)
InChIKeyAKKSWXGQBOVYCR-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

methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
methyl 4-(2-amino-4-bromo-3-pyridinyl)-2-methylbenzoate
CID 172823678
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
methyl 5-methyl-4-phenylpyridine-3-carboxylate
CID 10878891
dimethyl 3-amino-4,5-diphenylbenzene-1,2-dicarboxylate
CID 11581299
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
CID 54413564
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-phenylpyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-phenylpyridine-4-carboxylate (CID 133098297) is methyl 2-amino-3-phenylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-phenylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-phenylpyridine-4-carboxylate is COC(=O)c1ccnc(N)c1-c1ccccc1.
What is the InChIKey of methyl 2-amino-3-phenylpyridine-4-carboxylate?
The InChIKey is AKKSWXGQBOVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(16)10-7-8-15-12(14)11(10)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,15).
What are the key properties of methyl 2-amino-3-phenylpyridine-4-carboxylate?
methyl 2-amino-3-phenylpyridine-4-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 2-amino-3-phenylpyridine-4-carboxylate is sourced from PubChem (CID 133098297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).