2-bromonaphthalene

C10H7Br — CID 50940586

IUPAC2-bromonaphthalene
SMILESBr[13c]1[13cH][13cH][13c]2cccc[13c]2[13cH]1
InChIInChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i5+1,6+1,7+1,8+1,9+1,10+1
InChIKeyAPSMUYYLXZULMS-CYRQOIGNSA-N
MW213.02 g/mol
LogP3.60
Rot. Bonds

About 2-bromonaphthalene

2-bromonaphthalene (PubChem CID 50940586) has the molecular formula C10H7Br and a molecular weight of 213.02 g/mol. Its IUPAC name is 2-bromonaphthalene.

Molecular Properties

Compound Name2-bromonaphthalene
PubChem CID50940586
Molecular FormulaC10H7Br
Molecular Weight213.02 g/mol
Exact Mass211.99
IUPAC Name2-bromonaphthalene
SMILESBr[13c]1[13cH][13cH][13c]2cccc[13c]2[13cH]1
InChIInChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i5+1,6+1,7+1,8+1,9+1,10+1
InChIKeyAPSMUYYLXZULMS-CYRQOIGNSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dibromonaphthalene
CID 640591
2-bromonaphthalene;phenol
CID 174920874
2-bromonaphthalene;naphthalen-2-amine
CID 173256216
2-bromonaphthalene;sulfuryl dichloride
CID 174434762
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
3,6-dibromobenzo[b]triphenylene
CID 155269401
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
CID 142720539
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2-bromo-6-chloroanthracene
CID 22728523

Frequently Asked Questions

What is the IUPAC name of 2-bromonaphthalene?
The IUPAC name of 2-bromonaphthalene (CID 50940586) is 2-bromonaphthalene.
What is the SMILES notation for 2-bromonaphthalene?
The canonical SMILES for 2-bromonaphthalene is Br[13c]1[13cH][13cH][13c]2cccc[13c]2[13cH]1.
What is the InChIKey of 2-bromonaphthalene?
The InChIKey is APSMUYYLXZULMS-CYRQOIGNSA-N. The full InChI is InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i5+1,6+1,7+1,8+1,9+1,10+1.
What are the key properties of 2-bromonaphthalene?
2-bromonaphthalene has a molecular weight of 213.02 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphthalene is sourced from PubChem (CID 50940586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).