3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine

C8H9FIN2- — CID 176960972

IUPAC3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESC[I-]N1Cc2cc(F)cnc2C1
InChIInChI=1S/C8H9FIN2/c1-10-12-4-6-2-7(9)3-11-8(6)5-12/h2-3H,4-5H2,1H3/q-1
InChIKeyCLNHQGGNTOOMSR-UHFFFAOYSA-N
MW279.08 g/mol
LogP-1.83
Rot. Bonds1

About 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine

3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 176960972) has the molecular formula C8H9FIN2- and a molecular weight of 279.08 g/mol. Its IUPAC name is 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID176960972
Molecular FormulaC8H9FIN2-
Molecular Weight279.08 g/mol
Exact Mass278.98
IUPAC Name3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESC[I-]N1Cc2cc(F)cnc2C1
InChIInChI=1S/C8H9FIN2/c1-10-12-4-6-2-7(9)3-11-8(6)5-12/h2-3H,4-5H2,1H3/q-1
InChIKeyCLNHQGGNTOOMSR-UHFFFAOYSA-N
XLogP-1.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
CID 169158407
3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176961013
3-fluoro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 177053588
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 133063202
3-fluoro-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 84653474
3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
CID 58065607
N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960672
3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
CID 135396930
3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176961054
5-fluoro-2,3-dimethylpyridine
CID 45079981
1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one
CID 158828688
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
CID 105419130

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 176960972) is 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine is C[I-]N1Cc2cc(F)cnc2C1.
What is the InChIKey of 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is CLNHQGGNTOOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FIN2/c1-10-12-4-6-2-7(9)3-11-8(6)5-12/h2-3H,4-5H2,1H3/q-1.
What are the key properties of 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine?
3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 279.08 g/mol, XLogP of -1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 176960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).