4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine

C14H13BrN2O2 — CID 123789505

IUPAC4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine
SMILESCOc1ccc(C(Cc2cc(Br)ccn2)N=O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)14(17-18)9-12-8-11(15)6-7-16-12/h2-8,14H,9H2,1H3
InChIKeyFCXBUZUVYPDGJE-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds5

About 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine

4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine (PubChem CID 123789505) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine.

Molecular Properties

Compound Name4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine
PubChem CID123789505
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine
SMILESCOc1ccc(C(Cc2cc(Br)ccn2)N=O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)14(17-18)9-12-8-11(15)6-7-16-12/h2-8,14H,9H2,1H3
InChIKeyFCXBUZUVYPDGJE-UHFFFAOYSA-N
XLogP3.90
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91063046
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4-bromo-2-(2-methylsulfonylpropyl)pyridine
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[6-bromo-2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine
CID 68518223
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
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2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
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CID 53403630
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]-2-methylpyridine
CID 91898731
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine?
The IUPAC name of 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine (CID 123789505) is 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine.
What is the SMILES notation for 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine?
The canonical SMILES for 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine is COc1ccc(C(Cc2cc(Br)ccn2)N=O)cc1.
What is the InChIKey of 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine?
The InChIKey is FCXBUZUVYPDGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)14(17-18)9-12-8-11(15)6-7-16-12/h2-8,14H,9H2,1H3.
What are the key properties of 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine?
4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine has a molecular weight of 321.17 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine is sourced from PubChem (CID 123789505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).