2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine

C16H18BrNO — CID 170931613

IUPAC2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13/h4-10H,11H2,1-3H3
InChIKeyLWBMQICLIYGKSZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.72
Rot. Bonds3

About 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine

2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine (PubChem CID 170931613) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
PubChem CID170931613
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13/h4-10H,11H2,1-3H3
InChIKeyLWBMQICLIYGKSZ-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
2-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid
CID 22680482
3-bromo-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 63052810
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde
CID 161265183
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol
CID 10748840
5,11,17,23,29,35-hexatert-butyl-38,40,42-tris(pyridin-2-ylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,39,41-triol
CID 10418900
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
CID 130196962
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine?
The IUPAC name of 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine (CID 170931613) is 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine?
The canonical SMILES for 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine is CC(C)(C)c1ccc(OCc2ccccn2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine?
The InChIKey is LWBMQICLIYGKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine?
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine has a molecular weight of 320.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine is sourced from PubChem (CID 170931613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).