2,4-dichloropyrimidine-5-carbonitrile

C5HCl2N3 — CID 14026907

IUPAC2,4-dichloropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChIKeyKMHSUNDEGHRBNV-UHFFFAOYSA-N
MW173.99 g/mol
LogP1.66
Rot. Bonds

About 2,4-dichloropyrimidine-5-carbonitrile

2,4-dichloropyrimidine-5-carbonitrile (PubChem CID 14026907) has the molecular formula C5HCl2N3 and a molecular weight of 173.99 g/mol. Its IUPAC name is 2,4-dichloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dichloropyrimidine-5-carbonitrile
PubChem CID14026907
Molecular FormulaC5HCl2N3
Molecular Weight173.99 g/mol
Exact Mass172.95
IUPAC Name2,4-dichloropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChIKeyKMHSUNDEGHRBNV-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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Related Compounds

2,4-Dichloropyrimidine
CID 77531
4-Amino-5-pyrimidinecarbonitrile
CID 737208
2,4,5-Trichloropyrimidine
CID 237259
5-Chloropyrimidine-2-carbonitrile
CID 820198
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
5-Chloropyrimidine
CID 12600384
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
2,4-Dichloro-5-iodopyrimidine
CID 263438
2,4-Dichloro-5-fluoropyrimidine
CID 250705
4-Amino-2-chloropyrimidine-5-carbonitrile
CID 2801166
5-Bromo-2,4-dichloropyrimidine
CID 289973
2-Chloro-5-methylpyrimidine
CID 581719

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloropyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dichloropyrimidine-5-carbonitrile (CID 14026907) is 2,4-dichloropyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dichloropyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dichloropyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloropyrimidine-5-carbonitrile?
The InChIKey is KMHSUNDEGHRBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H.
What are the key properties of 2,4-dichloropyrimidine-5-carbonitrile?
2,4-dichloropyrimidine-5-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 2,4-dichloropyrimidine-5-carbonitrile is sourced from PubChem (CID 14026907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).