4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid

C25H14FN3O2 — CID 68633725

IUPAC4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid
SMILESN#Cc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C25H14FN3O2/c26-21-12-17(10-11-19(21)25(30)31)29-22-6-2-1-4-20(22)24-18(5-3-7-23(24)29)15-8-9-16(13-27)28-14-15/h1-12,14H,(H,30,31)
InChIKeyIAXLUCWKWNILAD-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.55
Rot. Bonds3

About 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid

4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid (PubChem CID 68633725) has the molecular formula C25H14FN3O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid
PubChem CID68633725
Molecular FormulaC25H14FN3O2
Molecular Weight407.40 g/mol
Exact Mass407.11
IUPAC Name4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid
SMILESN#Cc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C25H14FN3O2/c26-21-12-17(10-11-19(21)25(30)31)29-22-6-2-1-4-20(22)24-18(5-3-7-23(24)29)15-8-9-16(13-27)28-14-15/h1-12,14H,(H,30,31)
InChIKeyIAXLUCWKWNILAD-UHFFFAOYSA-N
XLogP5.55
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-Oxo-8-[[1-propan-2-yl-4-(2,3,4-trifluorophenyl)indol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 89573623
2-[3-Cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353128
4-[8-[(4-Cyclopropyl-1-propan-2-ylindol-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
CID 145981627
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-carboxylic acid
CID 11326368
1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid
CID 71584530
4-[3-(2,6-Difluorobenzoyl)indol-1-yl]benzoic acid
CID 118141954
2-[4-[[2,3-Dimethyl-5-(pyridin-3-ylmethylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 122179686
1-Methyl-1H-Indole-4-Carboxylic Acid
CID 14987287
4-[(2E)-2-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]benzoic acid
CID 9633370
3-{4-[6-fluoro-1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}benzoic acid
CID 11212029
5-{4-[1-(2-ethoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}-2-fluorobenzoic acid
CID 11247290

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid?
The IUPAC name of 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid (CID 68633725) is 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid is N#Cc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(C(=O)O)c(F)c2)cn1.
What is the InChIKey of 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid?
The InChIKey is IAXLUCWKWNILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14FN3O2/c26-21-12-17(10-11-19(21)25(30)31)29-22-6-2-1-4-20(22)24-18(5-3-7-23(24)29)15-8-9-16(13-27)28-14-15/h1-12,14H,(H,30,31).
What are the key properties of 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid?
4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid has a molecular weight of 407.40 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 68633725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).