ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate

C11H12ClNO2 — CID 112694248

IUPACethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C1CC1
InChIInChI=1S/C11H12ClNO2/c1-2-15-11(14)9-5-8(12)6-13-10(9)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyORTAWQMRWYSRRX-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.79
Rot. Bonds3

About ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate

ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate (PubChem CID 112694248) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
PubChem CID112694248
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Nameethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C1CC1
InChIInChI=1S/C11H12ClNO2/c1-2-15-11(14)9-5-8(12)6-13-10(9)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyORTAWQMRWYSRRX-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-chloro-2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxylate
CID 92593007
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate
CID 92593003
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 5-chloro-2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxylate
CID 110245329
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate (CID 112694248) is ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate is CCOC(=O)c1cc(Cl)cnc1C1CC1.
What is the InChIKey of ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate?
The InChIKey is ORTAWQMRWYSRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-15-11(14)9-5-8(12)6-13-10(9)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate?
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate has a molecular weight of 225.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 112694248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).