4-amino-2-bromonaphthalene-1-carbonitrile

C11H7BrN2 — CID 23079966

IUPAC4-amino-2-bromonaphthalene-1-carbonitrile
SMILESN#Cc1c(Br)cc(N)c2ccccc12
InChIInChI=1S/C11H7BrN2/c12-10-5-11(14)8-4-2-1-3-7(8)9(10)6-13/h1-5H,14H2
InChIKeyLYZDXTHQDWITOP-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.06
Rot. Bonds

About 4-amino-2-bromonaphthalene-1-carbonitrile

4-amino-2-bromonaphthalene-1-carbonitrile (PubChem CID 23079966) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 4-amino-2-bromonaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-amino-2-bromonaphthalene-1-carbonitrile
PubChem CID23079966
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name4-amino-2-bromonaphthalene-1-carbonitrile
SMILESN#Cc1c(Br)cc(N)c2ccccc12
InChIInChI=1S/C11H7BrN2/c12-10-5-11(14)8-4-2-1-3-7(8)9(10)6-13/h1-5H,14H2
InChIKeyLYZDXTHQDWITOP-UHFFFAOYSA-N
XLogP3.06
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromonaphthalene-1-carbonitrile?
The IUPAC name of 4-amino-2-bromonaphthalene-1-carbonitrile (CID 23079966) is 4-amino-2-bromonaphthalene-1-carbonitrile.
What is the SMILES notation for 4-amino-2-bromonaphthalene-1-carbonitrile?
The canonical SMILES for 4-amino-2-bromonaphthalene-1-carbonitrile is N#Cc1c(Br)cc(N)c2ccccc12.
What is the InChIKey of 4-amino-2-bromonaphthalene-1-carbonitrile?
The InChIKey is LYZDXTHQDWITOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-10-5-11(14)8-4-2-1-3-7(8)9(10)6-13/h1-5H,14H2.
What are the key properties of 4-amino-2-bromonaphthalene-1-carbonitrile?
4-amino-2-bromonaphthalene-1-carbonitrile has a molecular weight of 247.10 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromonaphthalene-1-carbonitrile is sourced from PubChem (CID 23079966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).