ethene;methyl 4-aminopyridine-2-carboxylate

C9H12N2O2 — CID 177218086

IUPACethene;methyl 4-aminopyridine-2-carboxylate
SMILESC=C.COC(=O)c1cc(N)ccn1
InChIInChI=1S/C7H8N2O2.C2H4/c1-11-7(10)6-4-5(8)2-3-9-6;1-2/h2-4H,1H3,(H2,8,9);1-2H2
InChIKeyNBNVYHIAGROZOU-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.25
Rot. Bonds1

About ethene;methyl 4-aminopyridine-2-carboxylate

ethene;methyl 4-aminopyridine-2-carboxylate (PubChem CID 177218086) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethene;methyl 4-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameethene;methyl 4-aminopyridine-2-carboxylate
PubChem CID177218086
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethene;methyl 4-aminopyridine-2-carboxylate
SMILESC=C.COC(=O)c1cc(N)ccn1
InChIInChI=1S/C7H8N2O2.C2H4/c1-11-7(10)6-4-5(8)2-3-9-6;1-2/h2-4H,1H3,(H2,8,9);1-2H2
InChIKeyNBNVYHIAGROZOU-UHFFFAOYSA-N
XLogP1.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-aminopyridine-2-carboxylate
CID 3759117
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
2-(1-methoxyethenyl)pyridin-4-amine
CID 177218237
methyl 4-methylpyridine-2-carboxylate
CID 10920693
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
4-aminopyridine-2-carboxylic acid;ethane
CID 91192468
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401

Frequently Asked Questions

What is the IUPAC name of ethene;methyl 4-aminopyridine-2-carboxylate?
The IUPAC name of ethene;methyl 4-aminopyridine-2-carboxylate (CID 177218086) is ethene;methyl 4-aminopyridine-2-carboxylate.
What is the SMILES notation for ethene;methyl 4-aminopyridine-2-carboxylate?
The canonical SMILES for ethene;methyl 4-aminopyridine-2-carboxylate is C=C.COC(=O)c1cc(N)ccn1.
What is the InChIKey of ethene;methyl 4-aminopyridine-2-carboxylate?
The InChIKey is NBNVYHIAGROZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H4/c1-11-7(10)6-4-5(8)2-3-9-6;1-2/h2-4H,1H3,(H2,8,9);1-2H2.
What are the key properties of ethene;methyl 4-aminopyridine-2-carboxylate?
ethene;methyl 4-aminopyridine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 4-aminopyridine-2-carboxylate is sourced from PubChem (CID 177218086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).