3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile

C13H11ClN2 — CID 90756398

IUPAC3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)cc(Cl)cc12
InChIInChI=1S/C13H11ClN2/c1-16(2)13-5-3-4-11-9(8-15)6-10(14)7-12(11)13/h3-7H,1-2H3
InChIKeyGIUBRYOYEZOYLL-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.43
Rot. Bonds1

About 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile

3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile (PubChem CID 90756398) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile
PubChem CID90756398
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)cc(Cl)cc12
InChIInChI=1S/C13H11ClN2/c1-16(2)13-5-3-4-11-9(8-15)6-10(14)7-12(11)13/h3-7H,1-2H3
InChIKeyGIUBRYOYEZOYLL-UHFFFAOYSA-N
XLogP3.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile?
The IUPAC name of 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile (CID 90756398) is 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile?
The canonical SMILES for 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile is CN(C)c1cccc2c(C#N)cc(Cl)cc12.
What is the InChIKey of 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile?
The InChIKey is GIUBRYOYEZOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-16(2)13-5-3-4-11-9(8-15)6-10(14)7-12(11)13/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile?
3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile has a molecular weight of 230.70 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(dimethylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 90756398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).