6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile

C10H13ClN4 — CID 2777489

IUPAC6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1cc(Cl)nc(N(C)C)c1C#N
InChIInChI=1S/C10H13ClN4/c1-14(2)8-5-9(11)13-10(15(3)4)7(8)6-12/h5H,1-4H3
InChIKeyNYYRIEUQPBVZLK-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.74
Rot. Bonds2

About 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile

6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile (PubChem CID 2777489) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile
PubChem CID2777489
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1cc(Cl)nc(N(C)C)c1C#N
InChIInChI=1S/C10H13ClN4/c1-14(2)8-5-9(11)13-10(15(3)4)7(8)6-12/h5H,1-4H3
InChIKeyNYYRIEUQPBVZLK-UHFFFAOYSA-N
XLogP1.74
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile (CID 2777489) is 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile is CN(C)c1cc(Cl)nc(N(C)C)c1C#N.
What is the InChIKey of 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is NYYRIEUQPBVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-14(2)8-5-9(11)13-10(15(3)4)7(8)6-12/h5H,1-4H3.
What are the key properties of 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile?
6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 224.69 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-bis(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 2777489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).