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

C14H13N3 — CID 165404706

IUPAC2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(-c3ncccc3C)ccnc2[nH]1
InChIInChI=1S/C14H13N3/c1-9-4-3-6-15-13(9)11-5-7-16-14-12(11)8-10(2)17-14/h3-8H,1-2H3,(H,16,17)
InChIKeyMHDGDUQPYRLNHF-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.24
Rot. Bonds1

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

2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 165404706) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID165404706
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(-c3ncccc3C)ccnc2[nH]1
InChIInChI=1S/C14H13N3/c1-9-4-3-6-15-13(9)11-5-7-16-14-12(11)8-10(2)17-14/h3-8H,1-2H3,(H,16,17)
InChIKeyMHDGDUQPYRLNHF-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 165404706) is 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cc2c(-c3ncccc3C)ccnc2[nH]1.
What is the InChIKey of 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MHDGDUQPYRLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-4-3-6-15-13(9)11-5-7-16-14-12(11)8-10(2)17-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 223.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165404706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).