2-chloro-6-(methylamino)pyridine-3-carbonitrile

C7H6ClN3 — CID 119017816

IUPAC2-chloro-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C7H6ClN3/c1-10-6-3-2-5(4-9)7(8)11-6/h2-3H,1H3,(H,10,11)
InChIKeyDVXWALNXBTWSND-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.65
Rot. Bonds1

About 2-chloro-6-(methylamino)pyridine-3-carbonitrile

2-chloro-6-(methylamino)pyridine-3-carbonitrile (PubChem CID 119017816) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(methylamino)pyridine-3-carbonitrile
PubChem CID119017816
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-chloro-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C7H6ClN3/c1-10-6-3-2-5(4-9)7(8)11-6/h2-3H,1H3,(H,10,11)
InChIKeyDVXWALNXBTWSND-UHFFFAOYSA-N
XLogP1.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-chloro-6-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(methylamino)pyridine-3-carbonitrile (CID 119017816) is 2-chloro-6-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(methylamino)pyridine-3-carbonitrile is CNc1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)pyridine-3-carbonitrile?
The InChIKey is DVXWALNXBTWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-10-6-3-2-5(4-9)7(8)11-6/h2-3H,1H3,(H,10,11).
What are the key properties of 2-chloro-6-(methylamino)pyridine-3-carbonitrile?
2-chloro-6-(methylamino)pyridine-3-carbonitrile has a molecular weight of 167.60 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 119017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).