2-bromo-3-but-3-ynoxy-5-chloropyridine

C9H7BrClNO — CID 130743994

IUPAC2-bromo-3-but-3-ynoxy-5-chloropyridine
SMILESC#CCCOc1cc(Cl)cnc1Br
InChIInChI=1S/C9H7BrClNO/c1-2-3-4-13-8-5-7(11)6-12-9(8)10/h1,5-6H,3-4H2
InChIKeyYVEWXNFVVUGCRX-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.90
Rot. Bonds3

About 2-bromo-3-but-3-ynoxy-5-chloropyridine

2-bromo-3-but-3-ynoxy-5-chloropyridine (PubChem CID 130743994) has the molecular formula C9H7BrClNO and a molecular weight of 260.52 g/mol. Its IUPAC name is 2-bromo-3-but-3-ynoxy-5-chloropyridine.

Molecular Properties

Compound Name2-bromo-3-but-3-ynoxy-5-chloropyridine
PubChem CID130743994
Molecular FormulaC9H7BrClNO
Molecular Weight260.52 g/mol
Exact Mass258.94
IUPAC Name2-bromo-3-but-3-ynoxy-5-chloropyridine
SMILESC#CCCOc1cc(Cl)cnc1Br
InChIInChI=1S/C9H7BrClNO/c1-2-3-4-13-8-5-7(11)6-12-9(8)10/h1,5-6H,3-4H2
InChIKeyYVEWXNFVVUGCRX-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
2-but-3-ynoxy-1,3,5-trichlorobenzene
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5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
2-bromo-5-but-3-ynoxypyrazine
CID 130540703
5-chloro-3-methoxy-2-prop-2-ynoxypyridine
CID 11356063
2,4-dichloro-1-oct-7-ynoxybenzene
CID 126538407
2-bromo-5-but-3-ynoxypyridine
CID 103864136
5-bromo-3-pent-4-ynoxypyridin-2-amine
CID 168886875
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
1-(3,5-dichloro-2-pyridinyl)pent-4-yn-1-one
CID 79786948
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-but-3-ynoxy-5-chloropyridine?
The IUPAC name of 2-bromo-3-but-3-ynoxy-5-chloropyridine (CID 130743994) is 2-bromo-3-but-3-ynoxy-5-chloropyridine.
What is the SMILES notation for 2-bromo-3-but-3-ynoxy-5-chloropyridine?
The canonical SMILES for 2-bromo-3-but-3-ynoxy-5-chloropyridine is C#CCCOc1cc(Cl)cnc1Br.
What is the InChIKey of 2-bromo-3-but-3-ynoxy-5-chloropyridine?
The InChIKey is YVEWXNFVVUGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO/c1-2-3-4-13-8-5-7(11)6-12-9(8)10/h1,5-6H,3-4H2.
What are the key properties of 2-bromo-3-but-3-ynoxy-5-chloropyridine?
2-bromo-3-but-3-ynoxy-5-chloropyridine has a molecular weight of 260.52 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-but-3-ynoxy-5-chloropyridine is sourced from PubChem (CID 130743994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).