2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine

C11H7Cl2N3O3 — CID 107716661

IUPAC2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])nc(Cl)n1
InChIInChI=1S/C11H7Cl2N3O3/c1-6-5-9(15-11(13)14-6)19-10-7(12)3-2-4-8(10)16(17)18/h2-5H,1H3
InChIKeyCOHASSNPFJHAAU-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine

2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine (PubChem CID 107716661) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
PubChem CID107716661
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC Name2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])nc(Cl)n1
InChIInChI=1S/C11H7Cl2N3O3/c1-6-5-9(15-11(13)14-6)19-10-7(12)3-2-4-8(10)16(17)18/h2-5H,1H3
InChIKeyCOHASSNPFJHAAU-UHFFFAOYSA-N
XLogP3.79
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.79
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-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
CID 107716558
4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine
CID 107716626
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 107719344
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
(1S)-1-[6-(2-chloro-6-nitrophenoxy)-3-pyridinyl]ethanamine
CID 107717162
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine (CID 107716661) is 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine is Cc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine?
The InChIKey is COHASSNPFJHAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c1-6-5-9(15-11(13)14-6)19-10-7(12)3-2-4-8(10)16(17)18/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine?
2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine has a molecular weight of 300.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine is sourced from PubChem (CID 107716661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).