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

C10H12N2O2 — CID 13397705

IUPACethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C)=CC1C#N
InChIInChI=1S/C10H12N2O2/c1-3-14-10(13)12-5-4-8(2)6-9(12)7-11/h4-6,9H,3H2,1-2H3
InChIKeyKFWANCXTIDNDQZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.81
Rot. Bonds1

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

ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate (PubChem CID 13397705) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate
PubChem CID13397705
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C)=CC1C#N
InChIInChI=1S/C10H12N2O2/c1-3-14-10(13)12-5-4-8(2)6-9(12)7-11/h4-6,9H,3H2,1-2H3
InChIKeyKFWANCXTIDNDQZ-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate (CID 13397705) is ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C)=CC1C#N.
What is the InChIKey of ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate?
The InChIKey is KFWANCXTIDNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-14-10(13)12-5-4-8(2)6-9(12)7-11/h4-6,9H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate?
ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-4-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 13397705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).