2,4-dichloro-6-nitropyrimidine

C4HCl2N3O2 — CID 19391209

IUPAC2,4-dichloro-6-nitropyrimidine
SMILESO=[N+]([O-])c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2N3O2/c5-2-1-3(9(10)11)8-4(6)7-2/h1H
InChIKeyBQUULAWJCDSWJR-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.69
Rot. Bonds1

About 2,4-dichloro-6-nitropyrimidine

2,4-dichloro-6-nitropyrimidine (PubChem CID 19391209) has the molecular formula C4HCl2N3O2 and a molecular weight of 193.98 g/mol. Its IUPAC name is 2,4-dichloro-6-nitropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-nitropyrimidine
PubChem CID19391209
Molecular FormulaC4HCl2N3O2
Molecular Weight193.98 g/mol
Exact Mass192.94
IUPAC Name2,4-dichloro-6-nitropyrimidine
SMILESO=[N+]([O-])c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2N3O2/c5-2-1-3(9(10)11)8-4(6)7-2/h1H
InChIKeyBQUULAWJCDSWJR-UHFFFAOYSA-N
XLogP1.69
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
2,4,6-trichloropyrimidine
CID 158990073
2,3-dichloro-4,6-dinitropyridine
CID 71429452
4-chloro-2-iodo-6-nitropyridine
CID 118839728
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
2,4-dichloro-6-nitroquinazoline
CID 12703366
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
7-chloro-5-nitrofuro[3,2-b]pyridine
CID 167359993
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-nitropyrimidine?
The IUPAC name of 2,4-dichloro-6-nitropyrimidine (CID 19391209) is 2,4-dichloro-6-nitropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-nitropyrimidine?
The canonical SMILES for 2,4-dichloro-6-nitropyrimidine is O=[N+]([O-])c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-nitropyrimidine?
The InChIKey is BQUULAWJCDSWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2N3O2/c5-2-1-3(9(10)11)8-4(6)7-2/h1H.
What are the key properties of 2,4-dichloro-6-nitropyrimidine?
2,4-dichloro-6-nitropyrimidine has a molecular weight of 193.98 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-nitropyrimidine is sourced from PubChem (CID 19391209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).