ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate

C13H11ClN2O2 — CID 46317829

IUPACethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-6-12(16-8-11(10)14)9-4-3-5-15-7-9/h3-8H,2H2,1H3
InChIKeyWKDPKPHMPBPNQY-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.97
Rot. Bonds3

About ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate

ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate (PubChem CID 46317829) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
PubChem CID46317829
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Nameethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-6-12(16-8-11(10)14)9-4-3-5-15-7-9/h3-8H,2H2,1H3
InChIKeyWKDPKPHMPBPNQY-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
ethyl 5-chloro-2-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 46897783
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 10038711
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate (CID 46317829) is ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccnc2)ncc1Cl.
What is the InChIKey of ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate?
The InChIKey is WKDPKPHMPBPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-6-12(16-8-11(10)14)9-4-3-5-15-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate?
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate has a molecular weight of 262.70 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 46317829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).