5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine

C15H14BrNO — CID 168963771

IUPAC5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine
SMILESCC1(c2ccc(Oc3ccc(Br)cn3)cc2)CC1
InChIInChI=1S/C15H14BrNO/c1-15(8-9-15)11-2-5-13(6-3-11)18-14-7-4-12(16)10-17-14/h2-7,10H,8-9H2,1H3
InChIKeyVLYPNZBGSHFSTH-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.69
Rot. Bonds3

About 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine

5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine (PubChem CID 168963771) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine
PubChem CID168963771
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine
SMILESCC1(c2ccc(Oc3ccc(Br)cn3)cc2)CC1
InChIInChI=1S/C15H14BrNO/c1-15(8-9-15)11-2-5-13(6-3-11)18-14-7-4-12(16)10-17-14/h2-7,10H,8-9H2,1H3
InChIKeyVLYPNZBGSHFSTH-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-pyridinyl)oxy]phenol
CID 12940619
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
2-methoxy-5-(1-methylcyclopropyl)pyridine
CID 140857812
5-bromo-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 97178675
5-bromo-2-methoxypyridine
CID 2734895
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
2-(4-bromophenoxy)-5-ethynylpyridine
CID 172879466
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine
CID 11494212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine?
The IUPAC name of 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine (CID 168963771) is 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine?
The canonical SMILES for 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine is CC1(c2ccc(Oc3ccc(Br)cn3)cc2)CC1.
What is the InChIKey of 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine?
The InChIKey is VLYPNZBGSHFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-15(8-9-15)11-2-5-13(6-3-11)18-14-7-4-12(16)10-17-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine?
5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine has a molecular weight of 304.19 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine is sourced from PubChem (CID 168963771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).