[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate

C18H13F3N2O2 — CID 46908485

IUPAC[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-9H,10H2,1H3
InChIKeyXKVZNPWUUYXTGC-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.31
Rot. Bonds3

About [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate

[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 46908485) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID46908485
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-9H,10H2,1H3
InChIKeyXKVZNPWUUYXTGC-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 46908485) is [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is XKVZNPWUUYXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-9H,10H2,1H3.
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 346.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 46908485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).