ethyl 2-methyl-4H-pyridine-1-carboxylate

C9H13NO2 — CID 13191056

IUPACethyl 2-methyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC=C1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyASZXIRIWXUSMHH-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.27
Rot. Bonds1

About ethyl 2-methyl-4H-pyridine-1-carboxylate

ethyl 2-methyl-4H-pyridine-1-carboxylate (PubChem CID 13191056) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethyl 2-methyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4H-pyridine-1-carboxylate
PubChem CID13191056
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethyl 2-methyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC=C1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyASZXIRIWXUSMHH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
Ethyl 5-methyl-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11147842
Ethyl 2,5-dimethylazepine-1-carboxylate
CID 21821144
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
ethenyl 2-methyl-2H-pyridine-1-carboxylate
CID 134986100
ethyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 354976
Ethyl 8-azaspiro[4.5]deca-1,3,6,9-tetraene-8-carboxylate
CID 12391527
Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
ethyl 2-ethyl-2H-pyridine-1-carboxylate
CID 12955681
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
propyl 4H-pyridine-1-carboxylate
CID 17998218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-methyl-4H-pyridine-1-carboxylate (CID 13191056) is ethyl 2-methyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CCC=C1C.
What is the InChIKey of ethyl 2-methyl-4H-pyridine-1-carboxylate?
The InChIKey is ASZXIRIWXUSMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-methyl-4H-pyridine-1-carboxylate?
ethyl 2-methyl-4H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 13191056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).