7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline

C15H11BrN2O — CID 107314168

IUPAC7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
SMILESBrCc1ccc(Oc2ccc3cccnc3c2)nc1
InChIInChI=1S/C15H11BrN2O/c16-9-11-3-6-15(18-10-11)19-13-5-4-12-2-1-7-17-14(12)8-13/h1-8,10H,9H2
InChIKeyIZOMFQGYIOGUNB-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.32
Rot. Bonds3

About 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline

7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline (PubChem CID 107314168) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
PubChem CID107314168
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
SMILESBrCc1ccc(Oc2ccc3cccnc3c2)nc1
InChIInChI=1S/C15H11BrN2O/c16-9-11-3-6-15(18-10-11)19-13-5-4-12-2-1-7-17-14(12)8-13/h1-8,10H,9H2
InChIKeyIZOMFQGYIOGUNB-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-quinolin-7-yloxy-3-pyridinyl)methanamine
CID 107313109
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
CID 107087262
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
6-quinolin-7-yloxypyridine-3-sulfonyl chloride
CID 107313180
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768
(2-quinolin-7-yloxypyrimidin-5-yl)methanamine
CID 107314265
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
(6-quinolin-7-yloxy-2-pyridinyl)hydrazine
CID 107315935
7-pyridin-4-yloxyquinoline
CID 141187990
(2-ethyl-6-quinolin-7-yloxy-4-pyridinyl)methanamine
CID 107314896
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline?
The IUPAC name of 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline (CID 107314168) is 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline.
What is the SMILES notation for 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline?
The canonical SMILES for 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline is BrCc1ccc(Oc2ccc3cccnc3c2)nc1.
What is the InChIKey of 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline?
The InChIKey is IZOMFQGYIOGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-9-11-3-6-15(18-10-11)19-13-5-4-12-2-1-7-17-14(12)8-13/h1-8,10H,9H2.
What are the key properties of 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline?
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline has a molecular weight of 315.17 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline is sourced from PubChem (CID 107314168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).