5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid

C14H13N3O2 — CID 163269618

IUPAC5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)[nH]2)c2cccnc2n1C
InChIInChI=1S/C14H13N3O2/c1-8-12(10-5-6-11(16-10)14(18)19)9-4-3-7-15-13(9)17(8)2/h3-7,16H,1-2H3,(H,18,19)
InChIKeyBAIXLZMHYHUITE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.58
Rot. Bonds2

About 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid

5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 163269618) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID163269618
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)[nH]2)c2cccnc2n1C
InChIInChI=1S/C14H13N3O2/c1-8-12(10-5-6-11(16-10)14(18)19)9-4-3-7-15-13(9)17(8)2/h3-7,16H,1-2H3,(H,18,19)
InChIKeyBAIXLZMHYHUITE-UHFFFAOYSA-N
XLogP2.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 175115180
1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524636
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
CID 155805321
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 118500444
6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810
9-methylpyrido[2,3-b]indole
CID 12596580
3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
CID 146162317
1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
CID 141185183

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid (CID 163269618) is 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid is Cc1c(-c2ccc(C(=O)O)[nH]2)c2cccnc2n1C.
What is the InChIKey of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is BAIXLZMHYHUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-12(10-5-6-11(16-10)14(18)19)9-4-3-7-15-13(9)17(8)2/h3-7,16H,1-2H3,(H,18,19).
What are the key properties of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid?
5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 163269618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).