5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine

C17H20BrNO — CID 107086966

IUPAC5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CBr)cn2)cc1
InChIInChI=1S/C17H20BrNO/c1-4-17(2,3)14-6-8-15(9-7-14)20-16-10-5-13(11-18)12-19-16/h5-10,12H,4,11H2,1-3H3
InChIKeyNNPXWBXGUYCNKW-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.46
Rot. Bonds5

About 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine

5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine (PubChem CID 107086966) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
PubChem CID107086966
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
SMILESCCC(C)(C)c1ccc(Oc2ccc(CBr)cn2)cc1
InChIInChI=1S/C17H20BrNO/c1-4-17(2,3)14-6-8-15(9-7-14)20-16-10-5-13(11-18)12-19-16/h5-10,12H,4,11H2,1-3H3
InChIKeyNNPXWBXGUYCNKW-UHFFFAOYSA-N
XLogP5.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
CID 147995396
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 164991107
5-iodo-2-[4-(2-methylbutan-2-yl)phenoxy]pyrimidine
CID 116649130
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
CID 107087262
3-(chloromethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]pyridazine
CID 61269159
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The IUPAC name of 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine (CID 107086966) is 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The canonical SMILES for 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine is CCC(C)(C)c1ccc(Oc2ccc(CBr)cn2)cc1.
What is the InChIKey of 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The InChIKey is NNPXWBXGUYCNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-17(2,3)14-6-8-15(9-7-14)20-16-10-5-13(11-18)12-19-16/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine has a molecular weight of 334.26 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine is sourced from PubChem (CID 107086966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).