4-chloropyrimidine-5-carbonyl chloride

C5H2Cl2N2O — CID 15136787

IUPAC4-chloropyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cncnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H
InChIKeyWSJZRPQLFKDILG-UHFFFAOYSA-N
MW176.99 g/mol
LogP1.51
Rot. Bonds1

About 4-chloropyrimidine-5-carbonyl chloride

4-chloropyrimidine-5-carbonyl chloride (PubChem CID 15136787) has the molecular formula C5H2Cl2N2O and a molecular weight of 176.99 g/mol. Its IUPAC name is 4-chloropyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name4-chloropyrimidine-5-carbonyl chloride
PubChem CID15136787
Molecular FormulaC5H2Cl2N2O
Molecular Weight176.99 g/mol
Exact Mass175.95
IUPAC Name4-chloropyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cncnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H
InChIKeyWSJZRPQLFKDILG-UHFFFAOYSA-N
XLogP1.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.99
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dichloro-5-pyrimidinecarbaldehyde
CID 819691
2,4-Dichloropyrimidine-5-carbonyl chloride
CID 13784112
1-(2,4-Dichloropyrimidin-5-yl)ethan-1-one
CID 21274708
2-Chloropyrimidine-5-carbaldehyde
CID 21698350
2,4-Dichloro-5-pyrimidinecarboxylic acid
CID 21941896
2-Chloro-5-pyrimidinecarbonyl chloride
CID 10631129
4,6-Dichloro-pyrimidine-5-carbonyl chloride
CID 12163360
Pyrimidine-5-carbonyl chloride
CID 15839553
4-Chloro-2-(methylsulfanyl)pyrimidine-5-carbonyl chloride
CID 18969078
2,4-Dichloropyrimidine-5-carbaldehyde
CID 18983168
2,4-Dichloropyrimidine-5-carboxamide
CID 21223080
Methyl 2,4-dichloropyrimidine-5-carboxylate
CID 23156323

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrimidine-5-carbonyl chloride?
The IUPAC name of 4-chloropyrimidine-5-carbonyl chloride (CID 15136787) is 4-chloropyrimidine-5-carbonyl chloride.
What is the SMILES notation for 4-chloropyrimidine-5-carbonyl chloride?
The canonical SMILES for 4-chloropyrimidine-5-carbonyl chloride is O=C(Cl)c1cncnc1Cl.
What is the InChIKey of 4-chloropyrimidine-5-carbonyl chloride?
The InChIKey is WSJZRPQLFKDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H.
What are the key properties of 4-chloropyrimidine-5-carbonyl chloride?
4-chloropyrimidine-5-carbonyl chloride has a molecular weight of 176.99 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrimidine-5-carbonyl chloride is sourced from PubChem (CID 15136787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).