ethyl 5-chloro-4-methylpyridine-2-carboxylate

C9H10ClNO2 — CID 13481444

IUPACethyl 5-chloro-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(Cl)cn1
InChIInChI=1S/C9H10ClNO2/c1-3-13-9(12)8-4-6(2)7(10)5-11-8/h4-5H,3H2,1-2H3
InChIKeyGNDIGQMXLAINFB-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.22
Rot. Bonds2

About ethyl 5-chloro-4-methylpyridine-2-carboxylate

ethyl 5-chloro-4-methylpyridine-2-carboxylate (PubChem CID 13481444) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is ethyl 5-chloro-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-methylpyridine-2-carboxylate
PubChem CID13481444
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Nameethyl 5-chloro-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(Cl)cn1
InChIInChI=1S/C9H10ClNO2/c1-3-13-9(12)8-4-6(2)7(10)5-11-8/h4-5H,3H2,1-2H3
InChIKeyGNDIGQMXLAINFB-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
ethyl 7-(bromomethoxy)isoquinoline-3-carboxylate
CID 155092531
ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 90852129
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylate
CID 71742725
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-4-methylpyridine-2-carboxylate (CID 13481444) is ethyl 5-chloro-4-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-methylpyridine-2-carboxylate is CCOC(=O)c1cc(C)c(Cl)cn1.
What is the InChIKey of ethyl 5-chloro-4-methylpyridine-2-carboxylate?
The InChIKey is GNDIGQMXLAINFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-3-13-9(12)8-4-6(2)7(10)5-11-8/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-4-methylpyridine-2-carboxylate?
ethyl 5-chloro-4-methylpyridine-2-carboxylate has a molecular weight of 199.64 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 13481444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).