2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine

C11H6Cl3N3O3 — CID 107499651

IUPAC2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl3N3O3/c1-5-4-15-11(14)16-10(5)20-9-3-7(13)6(12)2-8(9)17(18)19/h2-4H,1H3
InChIKeyJOHNTCUKGYDGNH-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine

2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine (PubChem CID 107499651) has the molecular formula C11H6Cl3N3O3 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
PubChem CID107499651
Molecular FormulaC11H6Cl3N3O3
Molecular Weight334.55 g/mol
Exact Mass332.95
IUPAC Name2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl3N3O3/c1-5-4-15-11(14)16-10(5)20-9-3-7(13)6(12)2-8(9)17(18)19/h2-4H,1H3
InChIKeyJOHNTCUKGYDGNH-UHFFFAOYSA-N
XLogP4.45
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
CID 107501354
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
2-bromo-5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724167
5-chloro-4-(4,5-dichloro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 107501326
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine (CID 107499651) is 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine is Cc1cnc(Cl)nc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine?
The InChIKey is JOHNTCUKGYDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O3/c1-5-4-15-11(14)16-10(5)20-9-3-7(13)6(12)2-8(9)17(18)19/h2-4H,1H3.
What are the key properties of 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine?
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine has a molecular weight of 334.55 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 107499651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).