5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C14H9FN2O2 — CID 142670737

IUPAC5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-2-8(4-10)9-5-11-12(14(18)19)7-17-13(11)16-6-9/h1-7H,(H,16,17)(H,18,19)
InChIKeyCMSXDGFQAOLBJT-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.07
Rot. Bonds2

About 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 142670737) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID142670737
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-2-8(4-10)9-5-11-12(14(18)19)7-17-13(11)16-6-9/h1-7H,(H,16,17)(H,18,19)
InChIKeyCMSXDGFQAOLBJT-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-650394
CID 25022668
ethyl 4-(5-acrylamido-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 118705186
4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 21110084
2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45270042
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 11953130
4-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11953233
2-fluoro-4-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 44529748
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
2-methyl-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)propanoic acid
CID 45272590
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propan-2-ylbenzoic acid
CID 68778271

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 142670737) is 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12.
What is the InChIKey of 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CMSXDGFQAOLBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-3-1-2-8(4-10)9-5-11-12(14(18)19)7-17-13(11)16-6-9/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 142670737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).