2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine

C16H15ClN4 — CID 67837497

IUPAC2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(Cl)[nH]c2ncccc12.Cc1c[nH]c2ncccc12
InChIInChI=1S/C8H7ClN2.C8H8N2/c1-5-6-3-2-4-10-8(6)11-7(5)9;1-6-5-10-8-7(6)3-2-4-9-8/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyPNZLKXINOFYSKE-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.40
Rot. Bonds

About 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine

2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67837497) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID67837497
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(Cl)[nH]c2ncccc12.Cc1c[nH]c2ncccc12
InChIInChI=1S/C8H7ClN2.C8H8N2/c1-5-6-3-2-4-10-8(6)11-7(5)9;1-6-5-10-8-7(6)3-2-4-9-8/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyPNZLKXINOFYSKE-UHFFFAOYSA-N
XLogP4.40
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 67837497) is 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1c(Cl)[nH]c2ncccc12.Cc1c[nH]c2ncccc12.
What is the InChIKey of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PNZLKXINOFYSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2.C8H8N2/c1-5-6-3-2-4-10-8(6)11-7(5)9;1-6-5-10-8-7(6)3-2-4-9-8/h2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10).
What are the key properties of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine?
2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 298.78 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67837497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).