5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine

C11H7Cl3N2 — CID 130088704

IUPAC5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
SMILESClCc1cncnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2/c12-4-7-5-15-6-16-11(7)8-2-1-3-9(13)10(8)14/h1-3,5-6H,4H2
InChIKeyGAAHHHIFTBZQRI-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.19
Rot. Bonds2

About 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine

5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine (PubChem CID 130088704) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
PubChem CID130088704
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
SMILESClCc1cncnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2/c12-4-7-5-15-6-16-11(7)8-2-1-3-9(13)10(8)14/h1-3,5-6H,4H2
InChIKeyGAAHHHIFTBZQRI-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
CID 105475068
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
5-(chloromethyl)-2-(2,3-dichlorophenyl)pyrimidine
CID 130088706
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
CID 28905263
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
CID 134619644
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
CID 131867762
4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
2-(2,3-dichlorophenyl)-5-fluoropyridin-3-amine
CID 130088674

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine (CID 130088704) is 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine is ClCc1cncnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine?
The InChIKey is GAAHHHIFTBZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-4-7-5-15-6-16-11(7)8-2-1-3-9(13)10(8)14/h1-3,5-6H,4H2.
What are the key properties of 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine?
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine has a molecular weight of 273.55 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine is sourced from PubChem (CID 130088704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).