4,6-dichloropyrimidine-2-carbonitrile

C5HCl2N3 — CID 76848181

IUPAC4,6-dichloropyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5HCl2N3/c6-3-1-4(7)10-5(2-8)9-3/h1H
InChIKeyCWTRWPGRAQQDOY-UHFFFAOYSA-N
MW173.99 g/mol
LogP1.66
Rot. Bonds

About 4,6-dichloropyrimidine-2-carbonitrile

4,6-dichloropyrimidine-2-carbonitrile (PubChem CID 76848181) has the molecular formula C5HCl2N3 and a molecular weight of 173.99 g/mol. Its IUPAC name is 4,6-dichloropyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dichloropyrimidine-2-carbonitrile
PubChem CID76848181
Molecular FormulaC5HCl2N3
Molecular Weight173.99 g/mol
Exact Mass172.95
IUPAC Name4,6-dichloropyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5HCl2N3/c6-3-1-4(7)10-5(2-8)9-3/h1H
InChIKeyCWTRWPGRAQQDOY-UHFFFAOYSA-N
XLogP1.66
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.99
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloropyrimidine-2-carbonitrile?
The IUPAC name of 4,6-dichloropyrimidine-2-carbonitrile (CID 76848181) is 4,6-dichloropyrimidine-2-carbonitrile.
What is the SMILES notation for 4,6-dichloropyrimidine-2-carbonitrile?
The canonical SMILES for 4,6-dichloropyrimidine-2-carbonitrile is N#Cc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloropyrimidine-2-carbonitrile?
The InChIKey is CWTRWPGRAQQDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3/c6-3-1-4(7)10-5(2-8)9-3/h1H.
What are the key properties of 4,6-dichloropyrimidine-2-carbonitrile?
4,6-dichloropyrimidine-2-carbonitrile has a molecular weight of 173.99 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyrimidine-2-carbonitrile is sourced from PubChem (CID 76848181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).