ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate

C18H13F3N2O2 — CID 68787542

IUPACethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccnc(-c3ccccc3)c2nc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O2/c1-2-25-17(24)13-10-12-8-9-22-14(11-6-4-3-5-7-11)15(12)23-16(13)18(19,20)21/h3-10H,2H2,1H3
InChIKeyKLABVJQNLUNAHT-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.49
Rot. Bonds3

About ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate

ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate (PubChem CID 68787542) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate
PubChem CID68787542
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Nameethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccnc(-c3ccccc3)c2nc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O2/c1-2-25-17(24)13-10-12-8-9-22-14(11-6-4-3-5-7-11)15(12)23-16(13)18(19,20)21/h3-10H,2H2,1H3
InChIKeyKLABVJQNLUNAHT-UHFFFAOYSA-N
XLogP4.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
5-ethoxycarbonyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90039315
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238

Frequently Asked Questions

What is the IUPAC name of ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate (CID 68787542) is ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccnc(-c3ccccc3)c2nc1C(F)(F)F.
What is the InChIKey of ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate?
The InChIKey is KLABVJQNLUNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-2-25-17(24)13-10-12-8-9-22-14(11-6-4-3-5-7-11)15(12)23-16(13)18(19,20)21/h3-10H,2H2,1H3.
What are the key properties of ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate?
ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate has a molecular weight of 346.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 68787542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).