ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate

C18H14FNO2 — CID 174669699

IUPACethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2ncccc2F)c2ccccc12
InChIInChI=1S/C18H14FNO2/c1-2-22-18(21)15-10-9-14(12-6-3-4-7-13(12)15)17-16(19)8-5-11-20-17/h3-11H,2H2,1H3
InChIKeyWJBMLSJUJFYZRL-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.22
Rot. Bonds3

About ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate

ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate (PubChem CID 174669699) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
PubChem CID174669699
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Nameethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2ncccc2F)c2ccccc12
InChIInChI=1S/C18H14FNO2/c1-2-22-18(21)15-10-9-14(12-6-3-4-7-13(12)15)17-16(19)8-5-11-20-17/h3-11H,2H2,1H3
InChIKeyWJBMLSJUJFYZRL-UHFFFAOYSA-N
XLogP4.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
CID 174669716
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
CID 140916991
ethyl 2-(difluoromethoxy)-3-fluorobenzoate
CID 170997086
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
CID 56590056
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl chrysene-1-carboxylate
CID 86251232
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate (CID 174669699) is ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate is CCOC(=O)c1ccc(-c2ncccc2F)c2ccccc12.
What is the InChIKey of ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate?
The InChIKey is WJBMLSJUJFYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-2-22-18(21)15-10-9-14(12-6-3-4-7-13(12)15)17-16(19)8-5-11-20-17/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate?
ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate is sourced from PubChem (CID 174669699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).