CID 172793605

C7H6ClF3MgN2 — CID 172793605

IUPAC—
SMILESFC(F)(F)CCc1cnc(Cl)nc1.[Mg]
InChIInChI=1S/C7H6ClF3N2.Mg/c8-6-12-3-5(4-13-6)1-2-7(9,10)11;/h3-4H,1-2H2;
InChIKeyPXDLPTASFPWZED-UHFFFAOYSA-N
MW234.89 g/mol
LogP2.24
Rot. Bonds2

About CID 172793605

CID 172793605 (PubChem CID 172793605) has the molecular formula C7H6ClF3MgN2 and a molecular weight of 234.89 g/mol.

Molecular Properties

Compound NameCID 172793605
PubChem CID172793605
Molecular FormulaC7H6ClF3MgN2
Molecular Weight234.89 g/mol
Exact Mass234.00
IUPAC Name—
SMILESFC(F)(F)CCc1cnc(Cl)nc1.[Mg]
InChIInChI=1S/C7H6ClF3N2.Mg/c8-6-12-3-5(4-13-6)1-2-7(9,10)11;/h3-4H,1-2H2;
InChIKeyPXDLPTASFPWZED-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.89
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-5-(2-methylsulfanylethyl)pyrimidine
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2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
2-chloro-5-(10,10,10-trifluorodecyl)pyridine
CID 152535807
2-chloro-5-ethylpyrimidine
CID 3572763
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
CID 67508680
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
1-(2,4-dichloropyrimidin-5-yl)-4,4,4-trifluorobutan-1-one
CID 161476280
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
2-(2-chloropyrimidin-5-yl)ethyl methanesulfonate
CID 118255821
methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248

Frequently Asked Questions

What is the IUPAC name of CID 172793605?
The IUPAC name of CID 172793605 (CID 172793605) is not available.
What is the SMILES notation for CID 172793605?
The canonical SMILES for CID 172793605 is FC(F)(F)CCc1cnc(Cl)nc1.[Mg].
What is the InChIKey of CID 172793605?
The InChIKey is PXDLPTASFPWZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2.Mg/c8-6-12-3-5(4-13-6)1-2-7(9,10)11;/h3-4H,1-2H2;.
What are the key properties of CID 172793605?
CID 172793605 has a molecular weight of 234.89 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172793605 is sourced from PubChem (CID 172793605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).