4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine

C9H8BrClN2 — CID 169206067

IUPAC4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(CBr)cc(Cl)nc21
InChIInChI=1S/C9H8BrClN2/c1-13-3-2-7-6(5-10)4-8(11)12-9(7)13/h2-4H,5H2,1H3
InChIKeyYCKFORJRFMASNV-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.12
Rot. Bonds1

About 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine

4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 169206067) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine
PubChem CID169206067
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(CBr)cc(Cl)nc21
InChIInChI=1S/C9H8BrClN2/c1-13-3-2-7-6(5-10)4-8(11)12-9(7)13/h2-4H,5H2,1H3
InChIKeyYCKFORJRFMASNV-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine (CID 169206067) is 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine is Cn1ccc2c(CBr)cc(Cl)nc21.
What is the InChIKey of 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is YCKFORJRFMASNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-13-3-2-7-6(5-10)4-8(11)12-9(7)13/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine?
4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 259.53 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 169206067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).