2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid

C15H13N3O2 — CID 126501542

IUPAC2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cnc2[nH]c(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C15H13N3O2/c1-9-4-11-6-13(18-14(11)17-8-9)7-12-5-10(15(19)20)2-3-16-12/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyCKSVZXGQHVAEBY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds3

About 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid

2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 126501542) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid
PubChem CID126501542
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cnc2[nH]c(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C15H13N3O2/c1-9-4-11-6-13(18-14(11)17-8-9)7-12-5-10(15(19)20)2-3-16-12/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyCKSVZXGQHVAEBY-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid (CID 126501542) is 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid is Cc1cnc2[nH]c(Cc3cc(C(=O)O)ccn3)cc2c1.
What is the InChIKey of 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is CKSVZXGQHVAEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-4-11-6-13(18-14(11)17-8-9)7-12-5-10(15(19)20)2-3-16-12/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid?
2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 126501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).