1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid

C72H47F5N8O10 — CID 159763721

IUPAC1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1.O=C(O)c1cn(-c2ccc(F)cc2)c2ccccc12.O=C(O)c1cn(-c2cccc(F)c2)c2ccccc12.O=C(O)c1cnc2c(ccn2-c2ccc(F)cc2)c1.O=C(O)c1cnc2ccn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/2C15H10FNO2.3C14H9FN2O2/c16-10-4-3-5-11(8-10)17-9-13(15(18)19)12-6-1-2-7-14(12)17;16-10-5-7-11(8-6-10)17-9-13(15(18)19)12-3-1-2-4-14(12)17;15-10-1-3-11(4-2-10)17-6-5-12-13(17)7-9(8-16-12)14(18)19;15-11-1-3-12(4-2-11)17-6-5-9-7-10(14(18)19)8-16-13(9)17;15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h2*1-9H,(H,18,19);3*1-8H,(H,18,19)
InChIKeyNFFPSACJWLMZOS-UHFFFAOYSA-N
MW1279.20 g/mol
LogP15.52
Rot. Bonds10

About 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid

1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 159763721) has the molecular formula C72H47F5N8O10 and a molecular weight of 1279.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID159763721
Molecular FormulaC72H47F5N8O10
Molecular Weight1279.20 g/mol
Exact Mass1278.33
IUPAC Name1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1.O=C(O)c1cn(-c2ccc(F)cc2)c2ccccc12.O=C(O)c1cn(-c2cccc(F)c2)c2ccccc12.O=C(O)c1cnc2c(ccn2-c2ccc(F)cc2)c1.O=C(O)c1cnc2ccn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/2C15H10FNO2.3C14H9FN2O2/c16-10-4-3-5-11(8-10)17-9-13(15(18)19)12-6-1-2-7-14(12)17;16-10-5-7-11(8-6-10)17-9-13(15(18)19)12-3-1-2-4-14(12)17;15-10-1-3-11(4-2-10)17-6-5-12-13(17)7-9(8-16-12)14(18)19;15-11-1-3-12(4-2-11)17-6-5-9-7-10(14(18)19)8-16-13(9)17;15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h2*1-9H,(H,18,19);3*1-8H,(H,18,19)
InChIKeyNFFPSACJWLMZOS-UHFFFAOYSA-N
XLogP15.52
TPSA249.82 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.20
LogP ≤ 515.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

CID 153428171
CID 153428171
CID 153428181
CID 153428181
CID 153428183
CID 153428183
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(5-fluoro-2-pyridinyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid
CID 157160079
CID 157368021
CID 157368021
CID 157464434
CID 157464434
CID 157758504
CID 157758504
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 157797980
CID 157928826
CID 157928826
copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid
CID 158247939
6-[2-(4-Butylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(1,3-dimethyl-2-methylidenebenzimidazol-5-yl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(5-fluoro-2-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
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1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158411968

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 159763721) is 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1.O=C(O)c1cn(-c2ccc(F)cc2)c2ccccc12.O=C(O)c1cn(-c2cccc(F)c2)c2ccccc12.O=C(O)c1cnc2c(ccn2-c2ccc(F)cc2)c1.O=C(O)c1cnc2ccn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is NFFPSACJWLMZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10FNO2.3C14H9FN2O2/c16-10-4-3-5-11(8-10)17-9-13(15(18)19)12-6-1-2-7-14(12)17;16-10-5-7-11(8-6-10)17-9-13(15(18)19)12-3-1-2-4-14(12)17;15-10-1-3-11(4-2-10)17-6-5-12-13(17)7-9(8-16-12)14(18)19;15-11-1-3-12(4-2-11)17-6-5-9-7-10(14(18)19)8-16-13(9)17;15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h2*1-9H,(H,18,19);3*1-8H,(H,18,19).
What are the key properties of 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid?
1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 1279.20 g/mol, XLogP of 15.52, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 159763721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).