ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate

C13H11FN2O2 — CID 46317855

IUPACethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccnc2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-2-18-13(17)10-6-11(14)12(16-8-10)9-4-3-5-15-7-9/h3-8H,2H2,1H3
InChIKeyYQDVPQKUYXQOSJ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.46
Rot. Bonds3

About ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate

ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate (PubChem CID 46317855) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
PubChem CID46317855
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Nameethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccnc2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-2-18-13(17)10-6-11(14)12(16-8-10)9-4-3-5-15-7-9/h3-8H,2H2,1H3
InChIKeyYQDVPQKUYXQOSJ-UHFFFAOYSA-N
XLogP2.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-fluoro-5-pyridin-3-ylbenzoate
CID 46317693
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
CID 131869928
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 3-pyridin-3-yl-5-(trifluoromethyl)benzoate
CID 46317775
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787
ethyl 4-nitro-3-pyridin-3-ylbenzoate
CID 46317733
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate (CID 46317855) is ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate is CCOC(=O)c1cnc(-c2cccnc2)c(F)c1.
What is the InChIKey of ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate?
The InChIKey is YQDVPQKUYXQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-2-18-13(17)10-6-11(14)12(16-8-10)9-4-3-5-15-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate?
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate has a molecular weight of 246.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate is sourced from PubChem (CID 46317855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).