ethane;methyl 3-aminopyridine-2-carboxylate

C9H14N2O2 — CID 168887245

IUPACethane;methyl 3-aminopyridine-2-carboxylate
SMILESCC.COC(=O)c1ncccc1N
InChIInChI=1S/C7H8N2O2.C2H6/c1-11-7(10)6-5(8)3-2-4-9-6;1-2/h2-4H,8H2,1H3;1-2H3
InChIKeyHGSQAINDHYJKGZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.48
Rot. Bonds1

About ethane;methyl 3-aminopyridine-2-carboxylate

ethane;methyl 3-aminopyridine-2-carboxylate (PubChem CID 168887245) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethane;methyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-aminopyridine-2-carboxylate
PubChem CID168887245
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethane;methyl 3-aminopyridine-2-carboxylate
SMILESCC.COC(=O)c1ncccc1N
InChIInChI=1S/C7H8N2O2.C2H6/c1-11-7(10)6-5(8)3-2-4-9-6;1-2/h2-4H,8H2,1H3;1-2H3
InChIKeyHGSQAINDHYJKGZ-UHFFFAOYSA-N
XLogP1.48
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
3-amino-N-methoxypyridine-2-carboxamide;O-methylhydroxylamine;hydrochloride
CID 158937226
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
methyl 4-aminopyridazine-3-carboxylate
CID 166610770
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743120
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
CID 155432044

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-aminopyridine-2-carboxylate?
The IUPAC name of ethane;methyl 3-aminopyridine-2-carboxylate (CID 168887245) is ethane;methyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-aminopyridine-2-carboxylate is CC.COC(=O)c1ncccc1N.
What is the InChIKey of ethane;methyl 3-aminopyridine-2-carboxylate?
The InChIKey is HGSQAINDHYJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H6/c1-11-7(10)6-5(8)3-2-4-9-6;1-2/h2-4H,8H2,1H3;1-2H3.
What are the key properties of ethane;methyl 3-aminopyridine-2-carboxylate?
ethane;methyl 3-aminopyridine-2-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 168887245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).