3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine

C6H5ClF3N — CID 19975251

IUPAC3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CNCC(Cl)=C1
InChIInChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,11H,3H2
InChIKeyQAZQKRKQQPSBRW-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.16
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine

3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 19975251) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID19975251
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CNCC(Cl)=C1
InChIInChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,11H,3H2
InChIKeyQAZQKRKQQPSBRW-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine (CID 19975251) is 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CNCC(Cl)=C1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is QAZQKRKQQPSBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,11H,3H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine?
3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 183.56 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 19975251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).