4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol

C18H14Br2Cl2N2O2 — CID 167650067

IUPAC4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
SMILESClc1ccc(OCc2cc(Br)ccn2)c(Cl)c1.OCc1cc(Br)ccn1
InChIInChI=1S/C12H8BrCl2NO.C6H6BrNO/c13-8-3-4-16-10(5-8)7-17-12-2-1-9(14)6-11(12)15;7-5-1-2-8-6(3-5)4-9/h1-6H,7H2;1-3,9H,4H2
InChIKeyQLFFLZYFGMZJBG-UHFFFAOYSA-N
MW521.04 g/mol
LogP6.07
Rot. Bonds4

About 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol

4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol (PubChem CID 167650067) has the molecular formula C18H14Br2Cl2N2O2 and a molecular weight of 521.04 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
PubChem CID167650067
Molecular FormulaC18H14Br2Cl2N2O2
Molecular Weight521.04 g/mol
Exact Mass517.88
IUPAC Name4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
SMILESClc1ccc(OCc2cc(Br)ccn2)c(Cl)c1.OCc1cc(Br)ccn1
InChIInChI=1S/C12H8BrCl2NO.C6H6BrNO/c13-8-3-4-16-10(5-8)7-17-12-2-1-9(14)6-11(12)15;7-5-1-2-8-6(3-5)4-9/h1-6H,7H2;1-3,9H,4H2
InChIKeyQLFFLZYFGMZJBG-UHFFFAOYSA-N
XLogP6.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.04
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
(4-bromo-2-pyridinyl)methanol
CID 14761462
2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine
CID 164601785
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol
CID 160823537
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
CID 167660062
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol?
The IUPAC name of 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol (CID 167650067) is 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol.
What is the SMILES notation for 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol?
The canonical SMILES for 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol is Clc1ccc(OCc2cc(Br)ccn2)c(Cl)c1.OCc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol?
The InChIKey is QLFFLZYFGMZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO.C6H6BrNO/c13-8-3-4-16-10(5-8)7-17-12-2-1-9(14)6-11(12)15;7-5-1-2-8-6(3-5)4-9/h1-6H,7H2;1-3,9H,4H2.
What are the key properties of 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol?
4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol has a molecular weight of 521.04 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 167650067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).