(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone

C9H7BrClNO — CID 119054666

IUPAC(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
SMILESO=C(c1cc(Br)cnc1Cl)C1CC1
InChIInChI=1S/C9H7BrClNO/c10-6-3-7(9(11)12-4-6)8(13)5-1-2-5/h3-5H,1-2H2
InChIKeyKXYXBRBVCQLEGN-UHFFFAOYSA-N
MW260.52 g/mol
LogP3.09
Rot. Bonds2

About (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone

(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone (PubChem CID 119054666) has the molecular formula C9H7BrClNO and a molecular weight of 260.52 g/mol. Its IUPAC name is (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
PubChem CID119054666
Molecular FormulaC9H7BrClNO
Molecular Weight260.52 g/mol
Exact Mass258.94
IUPAC Name(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
SMILESO=C(c1cc(Br)cnc1Cl)C1CC1
InChIInChI=1S/C9H7BrClNO/c10-6-3-7(9(11)12-4-6)8(13)5-1-2-5/h3-5H,1-2H2
InChIKeyKXYXBRBVCQLEGN-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone?
The IUPAC name of (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone (CID 119054666) is (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone.
What is the SMILES notation for (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone?
The canonical SMILES for (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone is O=C(c1cc(Br)cnc1Cl)C1CC1.
What is the InChIKey of (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone?
The InChIKey is KXYXBRBVCQLEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO/c10-6-3-7(9(11)12-4-6)8(13)5-1-2-5/h3-5H,1-2H2.
What are the key properties of (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone?
(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone has a molecular weight of 260.52 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone is sourced from PubChem (CID 119054666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).