2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine

C16H12BrNO — CID 63530476

IUPAC2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
SMILESCc1cccnc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrNO/c1-11-3-2-8-18-16(11)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h2-10H,1H3
InChIKeyBKKYUUZTOYMNQS-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.10
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine

2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine (PubChem CID 63530476) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
PubChem CID63530476
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
SMILESCc1cccnc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrNO/c1-11-3-2-8-18-16(11)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h2-10H,1H3
InChIKeyBKKYUUZTOYMNQS-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
3-(6-bromonaphthalen-2-yl)oxypyridazine
CID 55079910
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine (CID 63530476) is 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine is Cc1cccnc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine?
The InChIKey is BKKYUUZTOYMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-3-2-8-18-16(11)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h2-10H,1H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine?
2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine has a molecular weight of 314.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine is sourced from PubChem (CID 63530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).