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

C8H7ClN2 — CID 19392586

IUPAC2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(Cl)[nH]c2ncccc12
InChIInChI=1S/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
InChIKeyACPYFEOHCDNPLJ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

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

2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 19392586) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID19392586
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(Cl)[nH]c2ncccc12
InChIInChI=1S/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
InChIKeyACPYFEOHCDNPLJ-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 19392586) is 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1c(Cl)[nH]c2ncccc12.
What is the InChIKey of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ACPYFEOHCDNPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11).
What are the key properties of 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine?
2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).