7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium

C8H6ClN2O+ — CID 59279410

IUPAC7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium
SMILESCOc1cnc(Cl)c2c1C=[C+]N2
InChIInChI=1S/C8H6ClN2O/c1-12-6-4-11-8(9)7-5(6)2-3-10-7/h2,4,10H,1H3/q+1
InChIKeyFXGPQFXXVTWJBW-UHFFFAOYSA-N
MW181.60 g/mol
LogP1.94
Rot. Bonds1

About 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium

7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium (PubChem CID 59279410) has the molecular formula C8H6ClN2O+ and a molecular weight of 181.60 g/mol. Its IUPAC name is 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium.

Molecular Properties

Compound Name7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium
PubChem CID59279410
Molecular FormulaC8H6ClN2O+
Molecular Weight181.60 g/mol
Exact Mass181.02
IUPAC Name7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium
SMILESCOc1cnc(Cl)c2c1C=[C+]N2
InChIInChI=1S/C8H6ClN2O/c1-12-6-4-11-8(9)7-5(6)2-3-10-7/h2,4,10H,1H3/q+1
InChIKeyFXGPQFXXVTWJBW-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-3-methoxy-5-methylpyridine
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1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine
CID 91605725
2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
CID 119010666
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
4-chloro-5-methoxy-2,3-dimethylpyridine
CID 123946881
(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
7-chloro-4-methoxy-2H-isoquinolin-1-one;1,7-dichloro-4-methoxyisoquinoline
CID 162066700

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium?
The IUPAC name of 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium (CID 59279410) is 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium.
What is the SMILES notation for 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium?
The canonical SMILES for 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium is COc1cnc(Cl)c2c1C=[C+]N2.
What is the InChIKey of 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium?
The InChIKey is FXGPQFXXVTWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN2O/c1-12-6-4-11-8(9)7-5(6)2-3-10-7/h2,4,10H,1H3/q+1.
What are the key properties of 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium?
7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium has a molecular weight of 181.60 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium is sourced from PubChem (CID 59279410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).