1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride

C8H7ClN2O — CID 87581993

IUPAC1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cc2cc[nH]c2cn1
InChIInChI=1S/C8H6N2O.ClH/c11-5-7-3-6-1-2-9-8(6)4-10-7;/h1-5,9H;1H
InChIKeyRYVXYYNTDWQIAF-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.80
Rot. Bonds1

About 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride

1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride (PubChem CID 87581993) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
PubChem CID87581993
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cc2cc[nH]c2cn1
InChIInChI=1S/C8H6N2O.ClH/c11-5-7-3-6-1-2-9-8(6)4-10-7;/h1-5,9H;1H
InChIKeyRYVXYYNTDWQIAF-UHFFFAOYSA-N
XLogP1.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
CID 143215043
CID 143215043
1H-pyrrolo[2,3-c]pyridin-5-ylmethanamine
CID 15521900
1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
CID 137499260
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile
CID 162786281
5-(1,3-dioxolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 14644282
N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130667288
N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130637894
4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 154700345
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride?
The IUPAC name of 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride (CID 87581993) is 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride?
The canonical SMILES for 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride is Cl.O=Cc1cc2cc[nH]c2cn1.
What is the InChIKey of 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride?
The InChIKey is RYVXYYNTDWQIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.ClH/c11-5-7-3-6-1-2-9-8(6)4-10-7;/h1-5,9H;1H.
What are the key properties of 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride?
1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 87581993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).