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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).