6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine

C14H11ClN4 — CID 164564837

IUPAC6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine
SMILESC=Cc1nccc(-c2cc3cnc(Cl)cc3n2C)n1
InChIInChI=1S/C14H11ClN4/c1-3-14-16-5-4-10(18-14)12-6-9-8-17-13(15)7-11(9)19(12)2/h3-8H,1H2,2H3
InChIKeyAGTGQDWEJCACEB-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.33
Rot. Bonds2

About 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine

6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 164564837) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine
PubChem CID164564837
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine
SMILESC=Cc1nccc(-c2cc3cnc(Cl)cc3n2C)n1
InChIInChI=1S/C14H11ClN4/c1-3-14-16-5-4-10(18-14)12-6-9-8-17-13(15)7-11(9)19(12)2/h3-8H,1H2,2H3
InChIKeyAGTGQDWEJCACEB-UHFFFAOYSA-N
XLogP3.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
CID 6538793
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
6-chloro-9-[(4-iodo-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 11407335
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine (CID 164564837) is 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine is C=Cc1nccc(-c2cc3cnc(Cl)cc3n2C)n1.
What is the InChIKey of 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is AGTGQDWEJCACEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-3-14-16-5-4-10(18-14)12-6-9-8-17-13(15)7-11(9)19(12)2/h3-8H,1H2,2H3.
What are the key properties of 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine?
6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 270.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 164564837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).