2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde

C9H7ClN2O — CID 123253047

IUPAC2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCn1c(Cl)c(C=O)c2ccncc21
InChIInChI=1S/C9H7ClN2O/c1-12-8-4-11-3-2-6(8)7(5-13)9(12)10/h2-5H,1H3
InChIKeyBJLQVGOOJVPBKE-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde

2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde (PubChem CID 123253047) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde
PubChem CID123253047
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCn1c(Cl)c(C=O)c2ccncc21
InChIInChI=1S/C9H7ClN2O/c1-12-8-4-11-3-2-6(8)7(5-13)9(12)10/h2-5H,1H3
InChIKeyBJLQVGOOJVPBKE-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-c]pyridine
CID 143015909
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one
CID 134324140
4-bromo-1-methyl-1,7-naphthyridin-2-one
CID 162422495
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
2-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 59754755
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828
4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid
CID 22106030
8-bromo-9-methylpyrido[3,4-b]indole
CID 123878927
6-(dimethylamino)isoquinoline-5-carbaldehyde
CID 165144196
3-chloropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 105439809
1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde (CID 123253047) is 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde is Cn1c(Cl)c(C=O)c2ccncc21.
What is the InChIKey of 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The InChIKey is BJLQVGOOJVPBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-8-4-11-3-2-6(8)7(5-13)9(12)10/h2-5H,1H3.
What are the key properties of 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 123253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).