3-bromo-5-(butoxymethyl)pyridine

C10H14BrNO — CID 104809821

IUPAC3-bromo-5-(butoxymethyl)pyridine
SMILESCCCCOCc1cncc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-3-4-13-8-9-5-10(11)7-12-6-9/h5-7H,2-4,8H2,1H3
InChIKeyLJHIBLAFRIJZDN-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.16
Rot. Bonds5

About 3-bromo-5-(butoxymethyl)pyridine

3-bromo-5-(butoxymethyl)pyridine (PubChem CID 104809821) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-bromo-5-(butoxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(butoxymethyl)pyridine
PubChem CID104809821
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-bromo-5-(butoxymethyl)pyridine
SMILESCCCCOCc1cncc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-3-4-13-8-9-5-10(11)7-12-6-9/h5-7H,2-4,8H2,1H3
InChIKeyLJHIBLAFRIJZDN-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
CID 104809944
3-bromo-5-(2-butoxyethoxymethyl)aniline
CID 103350307
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
(2S)-2-[(5-bromo-3-pyridinyl)methoxy]-3-octadecoxypropan-1-ol;(2S)-2-[(5-methylsulfonyl-3-pyridinyl)methoxy]-3-octadecoxypropan-1-ol
CID 165055912
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
2,6-dibromo-4-(hexoxymethyl)pyridine
CID 11002629
2-bromo-4-(butoxymethyl)thiophene
CID 123709365
1-bromo-3-fluoro-5-(heptoxymethyl)benzene
CID 79701684
1-bromo-3-fluoro-5-(octoxymethyl)benzene
CID 79702505

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(butoxymethyl)pyridine?
The IUPAC name of 3-bromo-5-(butoxymethyl)pyridine (CID 104809821) is 3-bromo-5-(butoxymethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(butoxymethyl)pyridine?
The canonical SMILES for 3-bromo-5-(butoxymethyl)pyridine is CCCCOCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(butoxymethyl)pyridine?
The InChIKey is LJHIBLAFRIJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-3-4-13-8-9-5-10(11)7-12-6-9/h5-7H,2-4,8H2,1H3.
What are the key properties of 3-bromo-5-(butoxymethyl)pyridine?
3-bromo-5-(butoxymethyl)pyridine has a molecular weight of 244.13 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(butoxymethyl)pyridine is sourced from PubChem (CID 104809821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).