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

C14H12N2 — CID 84676205

IUPAC2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc(-c2cc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H12N2/c1-10-4-6-11(7-5-10)13-9-14-12(16-13)3-2-8-15-14/h2-9,16H,1H3
InChIKeyMHTSRGIPBDWKEC-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

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

2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 84676205) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID84676205
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc(-c2cc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H12N2/c1-10-4-6-11(7-5-10)13-9-14-12(16-13)3-2-8-15-14/h2-9,16H,1H3
InChIKeyMHTSRGIPBDWKEC-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
2-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 153303828
2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine
CID 134350502
4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole
CID 77108427
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 141361591
3-[[2-methoxy-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]methyl]phenol
CID 22324399
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 21258108
6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole
CID 137153210
5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-ol
CID 137115267

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine (CID 84676205) is 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine is Cc1ccc(-c2cc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is MHTSRGIPBDWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-4-6-11(7-5-10)13-9-14-12(16-13)3-2-8-15-14/h2-9,16H,1H3.
What are the key properties of 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine?
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 208.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 84676205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).