2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile

C11H11BrN2 — CID 63630629

IUPAC2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H11BrN2/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5H,3-4,6,14H2
InChIKeyPRCHTXIEIQJWNZ-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.16
Rot. Bonds

About 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 63630629) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID63630629
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H11BrN2/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5H,3-4,6,14H2
InChIKeyPRCHTXIEIQJWNZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 63630629) is 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(N)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is PRCHTXIEIQJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5H,3-4,6,14H2.
What are the key properties of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 251.13 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 63630629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).