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

C9H8N2O3 — CID 53412885

IUPAC4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCOc1ccnc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C9H8N2O3/c1-14-6-2-3-10-8-7(6)5(4-11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyCODHBXSLVPZMIW-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.27
Rot. Bonds2

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

4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 53412885) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID53412885
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCOc1ccnc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C9H8N2O3/c1-14-6-2-3-10-8-7(6)5(4-11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyCODHBXSLVPZMIW-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84655944
1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 24801189
1-[(2R)-4-benzoyl-2-iodopiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 67121967
1-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 24874962
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
CID 84684368
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
CID 70214849
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 115512615
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 23727981

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 53412885) is 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is COc1ccnc2[nH]cc(C(=O)O)c12.
What is the InChIKey of 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CODHBXSLVPZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-6-2-3-10-8-7(6)5(4-11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 53412885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).