2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine

C12H8ClF3N2 — CID 171091275

IUPAC2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine
SMILESCc1ccncc1-c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2/c1-7-2-3-17-6-9(7)8-4-10(12(14,15)16)18-11(13)5-8/h2-6H,1H3
InChIKeyZZYSPNCVOWXHDO-UHFFFAOYSA-N
MW272.66 g/mol
LogP4.12
Rot. Bonds1

About 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine

2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine (PubChem CID 171091275) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine
PubChem CID171091275
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine
SMILESCc1ccncc1-c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2/c1-7-2-3-17-6-9(7)8-4-10(12(14,15)16)18-11(13)5-8/h2-6H,1H3
InChIKeyZZYSPNCVOWXHDO-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine (CID 171091275) is 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine is Cc1ccncc1-c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine?
The InChIKey is ZZYSPNCVOWXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c1-7-2-3-17-6-9(7)8-4-10(12(14,15)16)18-11(13)5-8/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine?
2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine has a molecular weight of 272.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methyl-3-pyridinyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 171091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).