3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile

C7H6Cl2N2 — CID 175196197

IUPAC3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile
SMILESCC1=NCC(Cl)(C#N)C(Cl)=C1
InChIInChI=1S/C7H6Cl2N2/c1-5-2-6(8)7(9,3-10)4-11-5/h2H,4H2,1H3
InChIKeyOBDWYGUORIXRDJ-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.08
Rot. Bonds

About 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile

3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile (PubChem CID 175196197) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile
PubChem CID175196197
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile
SMILESCC1=NCC(Cl)(C#N)C(Cl)=C1
InChIInChI=1S/C7H6Cl2N2/c1-5-2-6(8)7(9,3-10)4-11-5/h2H,4H2,1H3
InChIKeyOBDWYGUORIXRDJ-UHFFFAOYSA-N
XLogP2.08
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile?
The IUPAC name of 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile (CID 175196197) is 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile?
The canonical SMILES for 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile is CC1=NCC(Cl)(C#N)C(Cl)=C1.
What is the InChIKey of 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile?
The InChIKey is OBDWYGUORIXRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c1-5-2-6(8)7(9,3-10)4-11-5/h2H,4H2,1H3.
What are the key properties of 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile?
3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile has a molecular weight of 189.05 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-methyl-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 175196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).