3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine

C16H16N2 — CID 142640932

IUPAC3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(C)c(-c2c[nH]c3cccnc23)c(C)c1
InChIInChI=1S/C16H16N2/c1-10-7-11(2)15(12(3)8-10)13-9-18-14-5-4-6-17-16(13)14/h4-9,18H,1-3H3
InChIKeyNZJSQMNVPVICEO-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.16
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine

3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 142640932) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID142640932
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(C)c(-c2c[nH]c3cccnc23)c(C)c1
InChIInChI=1S/C16H16N2/c1-10-7-11(2)15(12(3)8-10)13-9-18-14-5-4-6-17-16(13)14/h4-9,18H,1-3H3
InChIKeyNZJSQMNVPVICEO-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-yl)-6,8-dimethylquinoline
CID 177392885
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 175385817
3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine
CID 70112355
3-propyl-1H-pyrrolo[3,2-b]pyridine
CID 23521600
2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline;copper(1+);1,10-phenanthroline;hexafluorophosphate
CID 139168756
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one
CID 59223668
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
CID 174716175
(2-methoxy-5-methylphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112535065
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)propan-1-amine
CID 82653660

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine (CID 142640932) is 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine is Cc1cc(C)c(-c2c[nH]c3cccnc23)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is NZJSQMNVPVICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-10-7-11(2)15(12(3)8-10)13-9-18-14-5-4-6-17-16(13)14/h4-9,18H,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine?
3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 236.32 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142640932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).