3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine

C14H14BrNO — CID 115580431

IUPAC3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrNO/c1-10-3-4-14(11(2)5-10)17-9-12-6-13(15)8-16-7-12/h3-8H,9H2,1-2H3
InChIKeyFAGNJHVYCSELHF-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.04
Rot. Bonds3

About 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine

3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine (PubChem CID 115580431) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
PubChem CID115580431
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrNO/c1-10-3-4-14(11(2)5-10)17-9-12-6-13(15)8-16-7-12/h3-8H,9H2,1-2H3
InChIKeyFAGNJHVYCSELHF-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
CID 42851737
2-[(5-bromo-3-pyridinyl)methoxy]-4-methylbenzoic acid
CID 104795963
(E)-3-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 104799304
3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
CID 104795924
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
CID 42851644
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine (CID 115580431) is 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine is Cc1ccc(OCc2cncc(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine?
The InChIKey is FAGNJHVYCSELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-3-4-14(11(2)5-10)17-9-12-6-13(15)8-16-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine?
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine has a molecular weight of 292.18 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine is sourced from PubChem (CID 115580431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).