1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride

C10H11ClN2O2 — CID 69398558

IUPAC1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)n(C)c2ccncc12.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-6-7-5-11-4-3-8(7)12(2)9(6)10(13)14;/h3-5H,1-2H3,(H,13,14);1H
InChIKeyZFYFWCVMNMWXKJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.00
Rot. Bonds1

About 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride

1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 69398558) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
PubChem CID69398558
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)n(C)c2ccncc12.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-6-7-5-11-4-3-8(7)12(2)9(6)10(13)14;/h3-5H,1-2H3,(H,13,14);1H
InChIKeyZFYFWCVMNMWXKJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride (CID 69398558) is 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride is Cc1c(C(=O)O)n(C)c2ccncc12.Cl.
What is the InChIKey of 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is ZFYFWCVMNMWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-6-7-5-11-4-3-8(7)12(2)9(6)10(13)14;/h3-5H,1-2H3,(H,13,14);1H.
What are the key properties of 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride?
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 69398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).