6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride

C9H9Cl2FN2O — CID 174802442

IUPAC6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride
SMILESCc1[nH]c2cc(F)cnc2c1C=O.Cl.Cl
InChIInChI=1S/C9H7FN2O.2ClH/c1-5-7(4-13)9-8(12-5)2-6(10)3-11-9;;/h2-4,12H,1H3;2*1H
InChIKeyWEXXOGCJWCSJQI-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.67
Rot. Bonds1

About 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride

6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride (PubChem CID 174802442) has the molecular formula C9H9Cl2FN2O and a molecular weight of 251.09 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride
PubChem CID174802442
Molecular FormulaC9H9Cl2FN2O
Molecular Weight251.09 g/mol
Exact Mass250.01
IUPAC Name6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride
SMILESCc1[nH]c2cc(F)cnc2c1C=O.Cl.Cl
InChIInChI=1S/C9H7FN2O.2ClH/c1-5-7(4-13)9-8(12-5)2-6(10)3-11-9;;/h2-4,12H,1H3;2*1H
InChIKeyWEXXOGCJWCSJQI-UHFFFAOYSA-N
XLogP2.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.67
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

5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde
CID 83901191
6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 135394809
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
6-fluoro-N-methyl-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 138546468
4-iodo-2-methyl-1H-indole-3-carbaldehyde
CID 12541890
6-iodo-2-methyl-1H-indole-3-carbaldehyde
CID 88938719
3,8-difluoro-5-methyl-1,10-phenanthroline
CID 59318960
6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 68816242
methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112586582
6-fluoro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338152

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride?
The IUPAC name of 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride (CID 174802442) is 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride.
What is the SMILES notation for 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride?
The canonical SMILES for 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride is Cc1[nH]c2cc(F)cnc2c1C=O.Cl.Cl.
What is the InChIKey of 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride?
The InChIKey is WEXXOGCJWCSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O.2ClH/c1-5-7(4-13)9-8(12-5)2-6(10)3-11-9;;/h2-4,12H,1H3;2*1H.
What are the key properties of 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride?
6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride has a molecular weight of 251.09 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride is sourced from PubChem (CID 174802442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).