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

C9H13NO2 — CID 12955680

IUPACethyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h4-8H,3H2,1-2H3
InChIKeyPSOXQOWBFJYRHG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds1

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

ethyl 2-methyl-2H-pyridine-1-carboxylate (PubChem CID 12955680) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethyl 2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-2H-pyridine-1-carboxylate
PubChem CID12955680
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h4-8H,3H2,1-2H3
InChIKeyPSOXQOWBFJYRHG-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
Ethyl pyridine-1(2H)-carboxylate
CID 12371301
propan-2-yl 2H-pyridine-1-carboxylate
CID 69643800
methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
CID 11321791
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
(r,s)-2-Vinyl-2h-pyridine-1-carboxylic acid methyl ester
CID 12853365
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
Ethyl 2-cyanopyridine-1(2H)-carboxylate
CID 13397701
(r,s)-2-Butyl-4-dimethylamino-2h-pyridine-1-carboxylic acid ethyl ester
CID 13551602
1-chloroethyl 2-ethynyl-1(2H)-pyridinecarboxylate
CID 15183291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-methyl-2H-pyridine-1-carboxylate (CID 12955680) is ethyl 2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=CC1C.
What is the InChIKey of ethyl 2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is PSOXQOWBFJYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-2H-pyridine-1-carboxylate?
ethyl 2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12955680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).