5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine

C10H11BrClNO — CID 118193954

IUPAC5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
SMILESCC1(COc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C10H11BrClNO/c1-10(2-3-10)6-14-9-8(12)4-7(11)5-13-9/h4-5H,2-3,6H2,1H3
InChIKeyBIRJFEGBDDXDGY-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine

5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine (PubChem CID 118193954) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
PubChem CID118193954
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
SMILESCC1(COc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C10H11BrClNO/c1-10(2-3-10)6-14-9-8(12)4-7(11)5-13-9/h4-5H,2-3,6H2,1H3
InChIKeyBIRJFEGBDDXDGY-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine (CID 118193954) is 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine is CC1(COc2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine?
The InChIKey is BIRJFEGBDDXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-10(2-3-10)6-14-9-8(12)4-7(11)5-13-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine?
5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine has a molecular weight of 276.56 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine is sourced from PubChem (CID 118193954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).