6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

C22H16F2N2O3 — CID 68755330

IUPAC6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(F)c(F)c3)[nH]c2c1
InChIInChI=1S/C22H16F2N2O3/c1-29-14-6-7-15-16(10-13-3-2-4-19(25-13)22(27)28)21(26-20(15)11-14)12-5-8-17(23)18(24)9-12/h2-9,11,26H,10H2,1H3,(H,27,28)
InChIKeyHGRBYFXRAYMXSG-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.81
Rot. Bonds5

About 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 68755330) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID68755330
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(F)c(F)c3)[nH]c2c1
InChIInChI=1S/C22H16F2N2O3/c1-29-14-6-7-15-16(10-13-3-2-4-19(25-13)22(27)28)21(26-20(15)11-14)12-5-8-17(23)18(24)9-12/h2-9,11,26H,10H2,1H3,(H,27,28)
InChIKeyHGRBYFXRAYMXSG-UHFFFAOYSA-N
XLogP4.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
CID 90378902
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 144559991
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
3-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 86703292
methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
CID 69097105

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 68755330) is 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(F)c(F)c3)[nH]c2c1.
What is the InChIKey of 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is HGRBYFXRAYMXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c1-29-14-6-7-15-16(10-13-3-2-4-19(25-13)22(27)28)21(26-20(15)11-14)12-5-8-17(23)18(24)9-12/h2-9,11,26H,10H2,1H3,(H,27,28).
What are the key properties of 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 394.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68755330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).