4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine

C12H13ClN2O — CID 165344517

IUPAC4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOC=Cc1cc2c(Cl)nc(C)c(C)c2[nH]1
InChIInChI=1S/C12H13ClN2O/c1-7-8(2)14-12(13)10-6-9(4-5-16-3)15-11(7)10/h4-6,15H,1-3H3
InChIKeyYZUUCGLTEZHCBV-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine

4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 165344517) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID165344517
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOC=Cc1cc2c(Cl)nc(C)c(C)c2[nH]1
InChIInChI=1S/C12H13ClN2O/c1-7-8(2)14-12(13)10-6-9(4-5-16-3)15-11(7)10/h4-6,15H,1-3H3
InChIKeyYZUUCGLTEZHCBV-UHFFFAOYSA-N
XLogP3.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5,6-dimethylpyrimidine
CID 12600389
(4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-piperidin-1-ylmethanone
CID 91443486
2-chloro-4-(4-fluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
CID 171576508
2-chloro-4-(3,5-difluorophenyl)-3-[(E)-2-methoxyethenyl]pyridine
CID 154589457
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine
CID 87856658
2-chloro-5-fluoro-6-methyl-3-(trifluoromethyl)pyridine
CID 145012968
4-but-2-enoxy-6-chloro-5-methylpyrimidine
CID 77004719
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
CID 139231177
6-chloro-8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7H-purine
CID 155776545
6-chloro-8-[2-(3,4-dimethoxyphenyl)ethenyl]-7H-purine
CID 175095798
2-chloro-3-iodo-4,5,6-trimethylpyridine
CID 131701568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine (CID 165344517) is 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine is COC=Cc1cc2c(Cl)nc(C)c(C)c2[nH]1.
What is the InChIKey of 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is YZUUCGLTEZHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7-8(2)14-12(13)10-6-9(4-5-16-3)15-11(7)10/h4-6,15H,1-3H3.
What are the key properties of 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine?
4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 236.70 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 165344517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).