1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid

C92H61F10N7O13 — CID 160796443

IUPAC1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
SMILESCc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H10F3NO3.C16H13NO2.C15H8F3NO2.2C15H9F2NO2.C15H12N2O2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;1-11-3-2-4-14(9-11)17-8-7-12-10-13(16(18)19)5-6-15(12)17;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18;1-10-8-13(4-6-16-10)17-7-5-11-9-12(15(18)19)2-3-14(11)17/h1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-7H,(H,20,21);2*1-8H,(H,19,20);2-9H,1H3,(H,18,19)
InChIKeySCMUAPZULRFZOM-UHFFFAOYSA-N
MW1662.52 g/mol
LogP21.86
Rot. Bonds13

About 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid

1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid (PubChem CID 160796443) has the molecular formula C92H61F10N7O13 and a molecular weight of 1662.52 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
PubChem CID160796443
Molecular FormulaC92H61F10N7O13
Molecular Weight1662.52 g/mol
Exact Mass1661.42
IUPAC Name1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
SMILESCc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H10F3NO3.C16H13NO2.C15H8F3NO2.2C15H9F2NO2.C15H12N2O2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;1-11-3-2-4-14(9-11)17-8-7-12-10-13(16(18)19)5-6-15(12)17;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18;1-10-8-13(4-6-16-10)17-7-5-11-9-12(15(18)19)2-3-14(11)17/h1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-7H,(H,20,21);2*1-8H,(H,19,20);2-9H,1H3,(H,18,19)
InChIKeySCMUAPZULRFZOM-UHFFFAOYSA-N
XLogP21.86
TPSA275.50 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.52
LogP ≤ 521.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid with MolForge

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Related Compounds

3-[[6-[1-[[3-(Trifluoromethoxy)phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 155531583
3-[[6-[1-(4-Methoxyphenyl)indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 71592577
2-[1-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid;2-[1-benzyl-7-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
CID 87586281
2-[1-Butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-butyl-5-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid
CID 87600334
1-(3-Methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid
CID 91383066
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-1,2,3,4-tetrafluorocarbazole
CID 145703005
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 145703027
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 145703049
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157275312
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157454685
1-(3,5-Dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
CID 157480004
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157686472

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid (CID 160796443) is 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid is Cc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The InChIKey is SCMUAPZULRFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3.C16H13NO2.C15H8F3NO2.2C15H9F2NO2.C15H12N2O2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;1-11-3-2-4-14(9-11)17-8-7-12-10-13(16(18)19)5-6-15(12)17;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18;1-10-8-13(4-6-16-10)17-7-5-11-9-12(15(18)19)2-3-14(11)17/h1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-7H,(H,20,21);2*1-8H,(H,19,20);2-9H,1H3,(H,18,19).
What are the key properties of 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid has a molecular weight of 1662.52 g/mol, XLogP of 21.86, 13 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid is sourced from PubChem (CID 160796443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).