4,7,8-trichloroquinoline-2-carbonitrile

C10H3Cl3N2 — CID 146674031

IUPAC4,7,8-trichloroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C10H3Cl3N2/c11-7-2-1-6-8(12)3-5(4-14)15-10(6)9(7)13/h1-3H
InChIKeyRAMOIIQMEJJEQG-UHFFFAOYSA-N
MW257.51 g/mol
LogP4.07
Rot. Bonds

About 4,7,8-trichloroquinoline-2-carbonitrile

4,7,8-trichloroquinoline-2-carbonitrile (PubChem CID 146674031) has the molecular formula C10H3Cl3N2 and a molecular weight of 257.51 g/mol. Its IUPAC name is 4,7,8-trichloroquinoline-2-carbonitrile.

Molecular Properties

Compound Name4,7,8-trichloroquinoline-2-carbonitrile
PubChem CID146674031
Molecular FormulaC10H3Cl3N2
Molecular Weight257.51 g/mol
Exact Mass255.94
IUPAC Name4,7,8-trichloroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C10H3Cl3N2/c11-7-2-1-6-8(12)3-5(4-14)15-10(6)9(7)13/h1-3H
InChIKeyRAMOIIQMEJJEQG-UHFFFAOYSA-N
XLogP4.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
CID 143730981
4-chloro-6-fluoroquinoline-2-carbonitrile
CID 83527195
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
CID 82244207
6,8-dichloro-4-methylquinoline-2-carbonitrile
CID 82573278
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 123135259
4-bromo-7,8-dichloro-2-methylquinoline
CID 39346159
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
1-chloroisoquinoline-3-carbonitrile
CID 22250128
6-amino-5-chloropyridine-2-carbonitrile
CID 121227574
5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
1-chloro-6-methoxyisoquinoline-3-carbonitrile
CID 84684201

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trichloroquinoline-2-carbonitrile?
The IUPAC name of 4,7,8-trichloroquinoline-2-carbonitrile (CID 146674031) is 4,7,8-trichloroquinoline-2-carbonitrile.
What is the SMILES notation for 4,7,8-trichloroquinoline-2-carbonitrile?
The canonical SMILES for 4,7,8-trichloroquinoline-2-carbonitrile is N#Cc1cc(Cl)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 4,7,8-trichloroquinoline-2-carbonitrile?
The InChIKey is RAMOIIQMEJJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3N2/c11-7-2-1-6-8(12)3-5(4-14)15-10(6)9(7)13/h1-3H.
What are the key properties of 4,7,8-trichloroquinoline-2-carbonitrile?
4,7,8-trichloroquinoline-2-carbonitrile has a molecular weight of 257.51 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trichloroquinoline-2-carbonitrile is sourced from PubChem (CID 146674031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).