5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine

C11H7Cl2N3O3 — CID 113387972

IUPAC5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CCl)cn1
InChIInChI=1S/C11H7Cl2N3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyOOPAHXDEONIKJA-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.57
Rot. Bonds4

About 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine

5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine (PubChem CID 113387972) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
PubChem CID113387972
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC Name5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CCl)cn1
InChIInChI=1S/C11H7Cl2N3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyOOPAHXDEONIKJA-UHFFFAOYSA-N
XLogP3.57
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 107086310
2-(4-bromo-2-nitrophenoxy)-5-(chloromethyl)pyrimidine
CID 113387994
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
2-(4-chloro-2-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545722
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methoxy]-2-nitrobenzene
CID 65316735
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine (CID 113387972) is 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The InChIKey is OOPAHXDEONIKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2.
What are the key properties of 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine has a molecular weight of 300.10 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 113387972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).