1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine

C14H12N2S — CID 145005659

IUPAC1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine
SMILESCc1ccc(Sn2ccc3ncccc32)cc1
InChIInChI=1S/C14H12N2S/c1-11-4-6-12(7-5-11)17-16-10-8-13-14(16)3-2-9-15-13/h2-10H,1H3
InChIKeyVFRVRKCSXSCBEW-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine

1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine (PubChem CID 145005659) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine
PubChem CID145005659
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine
SMILESCc1ccc(Sn2ccc3ncccc32)cc1
InChIInChI=1S/C14H12N2S/c1-11-4-6-12(7-5-11)17-16-10-8-13-14(16)3-2-9-15-13/h2-10H,1H3
InChIKeyVFRVRKCSXSCBEW-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfanylbenzimidazole
CID 174957197
1-phenylsulfanylbenzimidazole
CID 13096820
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
1-hydroxypyrrolo[3,2-b]pyridine
CID 22988006
pyrrolo[3,2-b]pyridin-1-amine
CID 19601545
1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
CID 67836444
4-pyrrolo[2,3-b]pyridin-1-ylsulfanylaniline
CID 166990358
pyrrolo[3,2-b]pyridine-1-carboxamide
CID 89303380
2-(4-methylphenyl)sulfanyl-1-quinolin-5-ylethanone
CID 81198020
3-(4-methylphenyl)-1-phenylsulfanylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 141118679
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
2,3-dimethylpyridine;1,4-xylene
CID 174745079

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine (CID 145005659) is 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine is Cc1ccc(Sn2ccc3ncccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine?
The InChIKey is VFRVRKCSXSCBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-11-4-6-12(7-5-11)17-16-10-8-13-14(16)3-2-9-15-13/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine?
1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine has a molecular weight of 240.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 145005659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).