1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

C8H6N2O2 — CID 22477426

IUPAC1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2[nH]ccc12
InChIInChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyHPPPHDPVSYYWCH-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.26
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid (PubChem CID 22477426) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
PubChem CID22477426
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2[nH]ccc12
InChIInChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyHPPPHDPVSYYWCH-UHFFFAOYSA-N
XLogP1.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
7-Azatryptophan
CID 5354789
Ethyl 1H-pyrrolo(2,3-b)pyridine-4-carboxylate
CID 56773892
7-Aza-L-tryptophan
CID 7000165
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 11953130
1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 21963887
(1H-Pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 43156197
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
1H-Pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
1H-pyrrolo(2,3-b)pyridine-3-acetic acid
CID 25067324

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid (CID 22477426) is 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2[nH]ccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is HPPPHDPVSYYWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid?
1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 22477426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).