5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride

C6H5Cl2F3N2 — CID 122129918

IUPAC5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CCl)cn1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-1-4-2-11-5(12-3-4)6(8,9)10;/h2-3H,1H2;1H
InChIKeyVJFFYOLGHDDHQC-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.66
Rot. Bonds1

About 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride

5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 122129918) has the molecular formula C6H5Cl2F3N2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID122129918
Molecular FormulaC6H5Cl2F3N2
Molecular Weight233.02 g/mol
Exact Mass231.98
IUPAC Name5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CCl)cn1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-1-4-2-11-5(12-3-4)6(8,9)10;/h2-3H,1H2;1H
InChIKeyVJFFYOLGHDDHQC-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.66
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

2-bromo-5-(chloromethyl)pyrimidine
CID 133054042
5-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrimidine
CID 89033887
[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CID 55263556
5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride
CID 155145068
[5-(chloromethyl)pyrimidin-2-yl]methanethiol
CID 87907953
3-(chloromethyl)-7-(trifluoromethyl)quinoline
CID 86719502
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 170707449
(E)-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-enoyl chloride
CID 118366719
1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 141403709
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462
6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile
CID 155906031
3,6-bis(trifluoromethyl)-1,2,4-triazine
CID 170294965

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride (CID 122129918) is 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1ncc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is VJFFYOLGHDDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2.ClH/c7-1-4-2-11-5(12-3-4)6(8,9)10;/h2-3H,1H2;1H.
What are the key properties of 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 233.02 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 122129918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).