3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine

C15H16BrNO — CID 106877787

IUPAC3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
SMILESCc1ccnc(Oc2ccccc2C(C)C)c1Br
InChIInChI=1S/C15H16BrNO/c1-10(2)12-6-4-5-7-13(12)18-15-14(16)11(3)8-9-17-15/h4-10H,1-3H3
InChIKeyMRKFDQUGOLKPNP-UHFFFAOYSA-N
MW306.20 g/mol
LogP5.07
Rot. Bonds3

About 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine

3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine (PubChem CID 106877787) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
PubChem CID106877787
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
SMILESCc1ccnc(Oc2ccccc2C(C)C)c1Br
InChIInChI=1S/C15H16BrNO/c1-10(2)12-6-4-5-7-13(12)18-15-14(16)11(3)8-9-17-15/h4-10H,1-3H3
InChIKeyMRKFDQUGOLKPNP-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.20
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
CID 115928434
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
[3-fluoro-2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383273
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine
CID 114047816
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine (CID 106877787) is 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine is Cc1ccnc(Oc2ccccc2C(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine?
The InChIKey is MRKFDQUGOLKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10(2)12-6-4-5-7-13(12)18-15-14(16)11(3)8-9-17-15/h4-10H,1-3H3.
What are the key properties of 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine?
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine has a molecular weight of 306.20 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 106877787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).