4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one

C15H18FNO3 — CID 58187701

IUPAC4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
SMILESC=C1Cc2oc(=O)cc(CCCC)c2C(OCCF)=N1
InChIInChI=1S/C15H18FNO3/c1-3-4-5-11-9-13(18)20-12-8-10(2)17-15(14(11)12)19-7-6-16/h9H,2-8H2,1H3
InChIKeyNJMCXJXXYGCDCV-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.78
Rot. Bonds5

About 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one

4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one (PubChem CID 58187701) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
PubChem CID58187701
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
SMILESC=C1Cc2oc(=O)cc(CCCC)c2C(OCCF)=N1
InChIInChI=1S/C15H18FNO3/c1-3-4-5-11-9-13(18)20-12-8-10(2)17-15(14(11)12)19-7-6-16/h9H,2-8H2,1H3
InChIKeyNJMCXJXXYGCDCV-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187734
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
CID 58455620
5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187634
5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)
CID 123338928
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-butyl-3-ethoxy-1H-pyrano[3,2-d]pyrazol-6-one
CID 46701432
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4,6-diethyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187566
5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione
CID 24957084

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one?
The IUPAC name of 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one (CID 58187701) is 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one.
What is the SMILES notation for 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one?
The canonical SMILES for 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one is C=C1Cc2oc(=O)cc(CCCC)c2C(OCCF)=N1.
What is the InChIKey of 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one?
The InChIKey is NJMCXJXXYGCDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-4-5-11-9-13(18)20-12-8-10(2)17-15(14(11)12)19-7-6-16/h9H,2-8H2,1H3.
What are the key properties of 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one?
4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one has a molecular weight of 279.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one is sourced from PubChem (CID 58187701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).