CID 162469559

C8H2Cl2N2 — CID 162469559

IUPAC—
SMILES[CH]c1nc(Cl)c(C#N)c([CH])c1Cl
InChIInChI=1S/C8H2Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H
InChIKeyYBWACGYNYIWLDO-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.38
Rot. Bonds

About CID 162469559

CID 162469559 (PubChem CID 162469559) has the molecular formula C8H2Cl2N2 and a molecular weight of 197.02 g/mol.

Molecular Properties

Compound NameCID 162469559
PubChem CID162469559
Molecular FormulaC8H2Cl2N2
Molecular Weight197.02 g/mol
Exact Mass195.96
IUPAC Name—
SMILES[CH]c1nc(Cl)c(C#N)c([CH])c1Cl
InChIInChI=1S/C8H2Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H
InChIKeyYBWACGYNYIWLDO-UHFFFAOYSA-N
XLogP2.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
CID 122200579
4-bromo-2,6-dichloropyridine-3-carbonitrile
CID 154809886
2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile
CID 831337
4-chloro-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 137030345
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
CID 87707146
2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile
CID 166822994
2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
CID 86241914
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
CID 135388050
3,4,5,6-tetrachloropyridine-2-carbonitrile
CID 141345304

Frequently Asked Questions

What is the IUPAC name of CID 162469559?
The IUPAC name of CID 162469559 (CID 162469559) is not available.
What is the SMILES notation for CID 162469559?
The canonical SMILES for CID 162469559 is [CH]c1nc(Cl)c(C#N)c([CH])c1Cl.
What is the InChIKey of CID 162469559?
The InChIKey is YBWACGYNYIWLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H.
What are the key properties of CID 162469559?
CID 162469559 has a molecular weight of 197.02 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162469559 is sourced from PubChem (CID 162469559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).