5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile

C10H12ClN3 — CID 165445241

IUPAC5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(C)c1nc(C#N)ccc1Cl
InChIInChI=1S/C10H12ClN3/c1-3-6-14(2)10-9(11)5-4-8(7-12)13-10/h4-5H,3,6H2,1-2H3
InChIKeyLQJIBXRXDCDKCU-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile

5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile (PubChem CID 165445241) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile
PubChem CID165445241
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(C)c1nc(C#N)ccc1Cl
InChIInChI=1S/C10H12ClN3/c1-3-6-14(2)10-9(11)5-4-8(7-12)13-10/h4-5H,3,6H2,1-2H3
InChIKeyLQJIBXRXDCDKCU-UHFFFAOYSA-N
XLogP2.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile (CID 165445241) is 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile is CCCN(C)c1nc(C#N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile?
The InChIKey is LQJIBXRXDCDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-6-14(2)10-9(11)5-4-8(7-12)13-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile?
5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile has a molecular weight of 209.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[methyl(propyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 165445241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).