ethyl 2-methyl-1H-pyridine-2-carboxylate

C9H13NO2 — CID 21219562

IUPACethyl 2-methyl-1H-pyridine-2-carboxylate
SMILESCCOC(=O)C1(C)C=CC=CN1
InChIInChI=1S/C9H13NO2/c1-3-12-8(11)9(2)6-4-5-7-10-9/h4-7,10H,3H2,1-2H3
InChIKeyYTOWOFSNMSFLRG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds2

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

ethyl 2-methyl-1H-pyridine-2-carboxylate (PubChem CID 21219562) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethyl 2-methyl-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1H-pyridine-2-carboxylate
PubChem CID21219562
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethyl 2-methyl-1H-pyridine-2-carboxylate
SMILESCCOC(=O)C1(C)C=CC=CN1
InChIInChI=1S/C9H13NO2/c1-3-12-8(11)9(2)6-4-5-7-10-9/h4-7,10H,3H2,1-2H3
InChIKeyYTOWOFSNMSFLRG-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-ethoxycarbonyl-2-methyl-1H-pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1H-pyridine-2-carboxylate?
The IUPAC name of ethyl 2-methyl-1H-pyridine-2-carboxylate (CID 21219562) is ethyl 2-methyl-1H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 2-methyl-1H-pyridine-2-carboxylate is CCOC(=O)C1(C)C=CC=CN1.
What is the InChIKey of ethyl 2-methyl-1H-pyridine-2-carboxylate?
The InChIKey is YTOWOFSNMSFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-8(11)9(2)6-4-5-7-10-9/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-1H-pyridine-2-carboxylate?
ethyl 2-methyl-1H-pyridine-2-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1H-pyridine-2-carboxylate is sourced from PubChem (CID 21219562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).