ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate

C17H12ClFN2O2 — CID 67240006

IUPACethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(F)c2)nc2cccnc2c1Cl
InChIInChI=1S/C17H12ClFN2O2/c1-2-23-17(22)13-14(18)16-12(7-4-8-20-16)21-15(13)10-5-3-6-11(19)9-10/h3-9H,2H2,1H3
InChIKeyBUULNQUGEFSSHJ-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.27
Rot. Bonds3

About ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate

ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate (PubChem CID 67240006) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate
PubChem CID67240006
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Nameethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(F)c2)nc2cccnc2c1Cl
InChIInChI=1S/C17H12ClFN2O2/c1-2-23-17(22)13-14(18)16-12(7-4-8-20-16)21-15(13)10-5-3-6-11(19)9-10/h3-9H,2H2,1H3
InChIKeyBUULNQUGEFSSHJ-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate (CID 67240006) is ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(-c2cccc(F)c2)nc2cccnc2c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate?
The InChIKey is BUULNQUGEFSSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-2-23-17(22)13-14(18)16-12(7-4-8-20-16)21-15(13)10-5-3-6-11(19)9-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate?
ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate has a molecular weight of 330.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(3-fluorophenyl)-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 67240006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).