dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate

C86H69F7Li2N4O13 — CID 167543148

IUPACdilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate
SMILESCCOc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(F)c2)c1.COc1cccc(-c2cc(F)c(Cc3ncc(C)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+].[Li+]
InChIInChI=1S/C23H20FNO3.C21H16F3NO4.C21H17F2NO3.C21H18FNO3.2Li/c1-28-19-4-2-3-15(9-19)16-7-8-17(21(24)11-16)12-22-20(23(26)27)10-18(13-25-22)14-5-6-14;1-28-16-5-2-4-13(10-16)14-7-8-15(19(12-14)29-21(22,23)24)11-18-17(20(26)27)6-3-9-25-18;1-12-6-17(21(25)26)20(24-11-12)10-16-18(22)8-14(9-19(16)23)13-4-3-5-15(7-13)27-2;1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20;;/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,26,27);2-10,12H,11H2,1H3,(H,26,27);3-9,11H,10H2,1-2H3,(H,25,26);3-12H,2,13H2,1H3,(H,24,25);;/q;;;;2*+1/p-2
InChIKeyBLKHYDJGGNTVIK-UHFFFAOYSA-L
MW1513.38 g/mol
LogP10.55
Rot. Bonds23

About dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate

dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate (PubChem CID 167543148) has the molecular formula C86H69F7Li2N4O13 and a molecular weight of 1513.38 g/mol. Its IUPAC name is dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namedilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate
PubChem CID167543148
Molecular FormulaC86H69F7Li2N4O13
Molecular Weight1513.38 g/mol
Exact Mass1512.51
IUPAC Namedilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate
SMILESCCOc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(F)c2)c1.COc1cccc(-c2cc(F)c(Cc3ncc(C)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+].[Li+]
InChIInChI=1S/C23H20FNO3.C21H16F3NO4.C21H17F2NO3.C21H18FNO3.2Li/c1-28-19-4-2-3-15(9-19)16-7-8-17(21(24)11-16)12-22-20(23(26)27)10-18(13-25-22)14-5-6-14;1-28-16-5-2-4-13(10-16)14-7-8-15(19(12-14)29-21(22,23)24)11-18-17(20(26)27)6-3-9-25-18;1-12-6-17(21(25)26)20(24-11-12)10-16-18(22)8-14(9-19(16)23)13-4-3-5-15(7-13)27-2;1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20;;/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,26,27);2-10,12H,11H2,1H3,(H,26,27);3-9,11H,10H2,1-2H3,(H,25,26);3-12H,2,13H2,1H3,(H,24,25);;/q;;;;2*+1/p-2
InChIKeyBLKHYDJGGNTVIK-UHFFFAOYSA-L
XLogP10.55
TPSA252.57 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.38
LogP ≤ 510.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

2-[[4-(3-Ethoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 58051543
Tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoic acid
CID 87417688
6-[1-[[3-Cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 117992269
3-[6-[2-[2-Carboxy-1-[4-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-2-pyridinyl]ethyl]cyclopropyl]-4-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-2-pyridinyl]-3-cyclopropylpropanoic acid
CID 134465928
Methyl 6-[5-fluoro-2-[6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carbonyl]oxyphenyl]pyridine-3-carboxylate
CID 136399502
6-[9-[[3-Ethoxy-5-(ethoxymethyl)-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[5.5]undec-2-en-3-yl]pyridine-3-carboxylic acid
CID 144282964
(Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoic acid;ethane;ethyl (Z)-4-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenoxy]but-2-enoate
CID 144811980
2-[[4-(3-Ethoxyphenyl)-2,6-difluorophenyl]methyl]-5-methylpyridine-3-carboxylic acid
CID 148420403
5-Cyclopropyl-2-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]methyl]pyridine-3-carboxylic acid
CID 153032829
Bis(4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-pyridin-2-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid);methyl 4-fluoro-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 157330561
5-Cyclopropyl-2-[[4-(3-ethoxyphenyl)-2,5-difluorophenyl]methyl]pyridine-3-carboxylic acid
CID 157360633
2-[[4-(3-Cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
CID 157371303

Frequently Asked Questions

What is the IUPAC name of dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate?
The IUPAC name of dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate (CID 167543148) is dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate?
The canonical SMILES for dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate is CCOc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(F)c2)c1.COc1cccc(-c2cc(F)c(Cc3ncc(C)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2ccc(Cc3ncccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+].[Li+].
What is the InChIKey of dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate?
The InChIKey is BLKHYDJGGNTVIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H20FNO3.C21H16F3NO4.C21H17F2NO3.C21H18FNO3.2Li/c1-28-19-4-2-3-15(9-19)16-7-8-17(21(24)11-16)12-22-20(23(26)27)10-18(13-25-22)14-5-6-14;1-28-16-5-2-4-13(10-16)14-7-8-15(19(12-14)29-21(22,23)24)11-18-17(20(26)27)6-3-9-25-18;1-12-6-17(21(25)26)20(24-11-12)10-16-18(22)8-14(9-19(16)23)13-4-3-5-15(7-13)27-2;1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20;;/h2-4,7-11,13-14H,5-6,12H2,1H3,(H,26,27);2-10,12H,11H2,1H3,(H,26,27);3-9,11H,10H2,1-2H3,(H,25,26);3-12H,2,13H2,1H3,(H,24,25);;/q;;;;2*+1/p-2.
What are the key properties of dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate?
dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate has a molecular weight of 1513.38 g/mol, XLogP of 10.55, 23 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid;2-[[2,6-difluoro-4-(3-methoxyphenyl)phenyl]methyl]-5-methylpyridine-3-carboxylic acid;2-[[4-(3-ethoxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylate;2-[[4-(3-methoxyphenyl)-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 167543148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).