5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

C22H14F4N2O — CID 10135476

IUPAC5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1ccccc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F
InChIInChI=1S/C22H14F4N2O/c1-29-19-5-3-2-4-15(19)17-12-13(6-8-18(17)23)14-10-11-27-21-16(14)7-9-20(28-21)22(24,25)26/h2-12H,1H3
InChIKeyHKBGYRDVWQIEQD-UHFFFAOYSA-N
MW398.36 g/mol
LogP6.13
Rot. Bonds3

About 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10135476) has the molecular formula C22H14F4N2O and a molecular weight of 398.36 g/mol. Its IUPAC name is 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10135476
Molecular FormulaC22H14F4N2O
Molecular Weight398.36 g/mol
Exact Mass398.10
IUPAC Name5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1ccccc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F
InChIInChI=1S/C22H14F4N2O/c1-29-19-5-3-2-4-15(19)17-12-13(6-8-18(17)23)14-10-11-27-21-16(14)7-9-20(28-21)22(24,25)26/h2-12H,1H3
InChIKeyHKBGYRDVWQIEQD-UHFFFAOYSA-N
XLogP6.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-[(5-Iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481091
Rwj-68354
CID 9819053
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
6-(2-Methoxyphenyl)-4-quinazolinamine
CID 90054621
2-(1,8-Naphthyridin-2-yl)phenol
CID 2761113
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
3-Methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile
CID 24180510
2-(3,5-Dimethoxyphenyl)-1,8-naphthyridine
CID 44434719

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (CID 10135476) is 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is COc1ccccc1-c1cc(-c2ccnc3nc(C(F)(F)F)ccc23)ccc1F.
What is the InChIKey of 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is HKBGYRDVWQIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O/c1-29-19-5-3-2-4-15(19)17-12-13(6-8-18(17)23)14-10-11-27-21-16(14)7-9-20(28-21)22(24,25)26/h2-12H,1H3.
What are the key properties of 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 398.36 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(2-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10135476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).