potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide

C22H20F3KN2O4 — CID 161274800

IUPACpotassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide
SMILESO=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1.[K+].[OH-]
InChIInChI=1S/C22H19F3N2O3.K.H2O/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29;;/h1-5,10-14H,6-9H2,(H,28,29);;1H2/q;+1;/p-1
InChIKeyVEHGSEFIINEPBI-UHFFFAOYSA-M
MW472.50 g/mol
LogP2.38
Rot. Bonds4

About potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide

potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide (PubChem CID 161274800) has the molecular formula C22H20F3KN2O4 and a molecular weight of 472.50 g/mol. Its IUPAC name is potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide.

Molecular Properties

Compound Namepotassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide
PubChem CID161274800
Molecular FormulaC22H20F3KN2O4
Molecular Weight472.50 g/mol
Exact Mass472.10
IUPAC Namepotassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide
SMILESO=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1.[K+].[OH-]
InChIInChI=1S/C22H19F3N2O3.K.H2O/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29;;/h1-5,10-14H,6-9H2,(H,28,29);;1H2/q;+1;/p-1
InChIKeyVEHGSEFIINEPBI-UHFFFAOYSA-M
XLogP2.38
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
CID 69398748
6-cyclohexyl-8-(3-fluorophenyl)-1,7-naphthyridine
CID 141136121
2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105134
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
CID 24738670
4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
CID 91536421
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386021

Frequently Asked Questions

What is the IUPAC name of potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide?
The IUPAC name of potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide (CID 161274800) is potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide.
What is the SMILES notation for potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide?
The canonical SMILES for potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide is O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1.[K+].[OH-].
What is the InChIKey of potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide?
The InChIKey is VEHGSEFIINEPBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H19F3N2O3.K.H2O/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29;;/h1-5,10-14H,6-9H2,(H,28,29);;1H2/q;+1;/p-1.
What are the key properties of potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide?
potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide has a molecular weight of 472.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[8-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid;hydroxide is sourced from PubChem (CID 161274800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).