4-chloro-2-cyanopyrimidine-5-carbonyl chloride

C6HCl2N3O — CID 86223870

IUPAC4-chloro-2-cyanopyrimidine-5-carbonyl chloride
SMILESN#Cc1ncc(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C6HCl2N3O/c7-5-3(6(8)12)2-10-4(1-9)11-5/h2H
InChIKeyFTTRJBLZCNNIKI-UHFFFAOYSA-N
MW202.00 g/mol
LogP1.38
Rot. Bonds1

About 4-chloro-2-cyanopyrimidine-5-carbonyl chloride

4-chloro-2-cyanopyrimidine-5-carbonyl chloride (PubChem CID 86223870) has the molecular formula C6HCl2N3O and a molecular weight of 202.00 g/mol. Its IUPAC name is 4-chloro-2-cyanopyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2-cyanopyrimidine-5-carbonyl chloride
PubChem CID86223870
Molecular FormulaC6HCl2N3O
Molecular Weight202.00 g/mol
Exact Mass200.95
IUPAC Name4-chloro-2-cyanopyrimidine-5-carbonyl chloride
SMILESN#Cc1ncc(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C6HCl2N3O/c7-5-3(6(8)12)2-10-4(1-9)11-5/h2H
InChIKeyFTTRJBLZCNNIKI-UHFFFAOYSA-N
XLogP1.38
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.00
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloropyrimidine-5-carbonyl chloride
CID 133056953
4-chloro-2-pyridin-3-ylpyrimidine-5-carbonyl chloride
CID 28812032
4-cyano-5-fluoropyridine-3-carbonyl chloride
CID 131125612
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
5-acetyl-2,6-dichloropyridine-3-carbonitrile
CID 167702733
2-amino-6-cyanopyridine-3-carbonyl chloride
CID 130924272
2-chloro-5-cyanopyridine-3-carboxylic acid
CID 55219588
2,5-dichloro-6-cyanopyridine-3-carboxylic acid
CID 129097662
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10574522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyanopyrimidine-5-carbonyl chloride?
The IUPAC name of 4-chloro-2-cyanopyrimidine-5-carbonyl chloride (CID 86223870) is 4-chloro-2-cyanopyrimidine-5-carbonyl chloride.
What is the SMILES notation for 4-chloro-2-cyanopyrimidine-5-carbonyl chloride?
The canonical SMILES for 4-chloro-2-cyanopyrimidine-5-carbonyl chloride is N#Cc1ncc(C(=O)Cl)c(Cl)n1.
What is the InChIKey of 4-chloro-2-cyanopyrimidine-5-carbonyl chloride?
The InChIKey is FTTRJBLZCNNIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2N3O/c7-5-3(6(8)12)2-10-4(1-9)11-5/h2H.
What are the key properties of 4-chloro-2-cyanopyrimidine-5-carbonyl chloride?
4-chloro-2-cyanopyrimidine-5-carbonyl chloride has a molecular weight of 202.00 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyanopyrimidine-5-carbonyl chloride is sourced from PubChem (CID 86223870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).