7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C11H13N3O2 — CID 91348892

IUPAC7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCN(C)Cc1nccc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H13N3O2/c1-14(2)6-9-10-7(3-4-12-9)5-8(13-10)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyLCWOSLIJHWWDJZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.32
Rot. Bonds3

About 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 91348892) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID91348892
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCN(C)Cc1nccc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H13N3O2/c1-14(2)6-9-10-7(3-4-12-9)5-8(13-10)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyLCWOSLIJHWWDJZ-UHFFFAOYSA-N
XLogP1.32
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
1H-benzo[g]indole-2-carboxylic acid
CID 645288
2-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 82410975
1H-benzo[g]indole-2,7,9-tricarboxylic acid
CID 67524541
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
CID 82415210
4-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 155227311
2-(3-methyl-2H-pyrrolo[3,4-c]pyridin-4-yl)acetic acid
CID 82404170
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
4-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylic acid
CID 66955018
7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84674016

Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 91348892) is 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is CN(C)Cc1nccc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is LCWOSLIJHWWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)6-9-10-7(3-4-12-9)5-8(13-10)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16).
What are the key properties of 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 91348892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).