2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

C8H3ClF7N — CID 138396390

IUPAC2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFC(F)(F)C(F)(c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C8H3ClF7N/c9-5-2-1-4(3-17-5)6(10,7(11,12)13)8(14,15)16/h1-3H
InChIKeyFGWMYARQPFCFQW-UHFFFAOYSA-N
MW281.56 g/mol
LogP4.02
Rot. Bonds1

About 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (PubChem CID 138396390) has the molecular formula C8H3ClF7N and a molecular weight of 281.56 g/mol. Its IUPAC name is 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
PubChem CID138396390
Molecular FormulaC8H3ClF7N
Molecular Weight281.56 g/mol
Exact Mass280.98
IUPAC Name2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFC(F)(F)C(F)(c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C8H3ClF7N/c9-5-2-1-4(3-17-5)6(10,7(11,12)13)8(14,15)16/h1-3H
InChIKeyFGWMYARQPFCFQW-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The IUPAC name of 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (CID 138396390) is 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The canonical SMILES for 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is FC(F)(F)C(F)(c1ccc(Cl)nc1)C(F)(F)F.
What is the InChIKey of 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The InChIKey is FGWMYARQPFCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF7N/c9-5-2-1-4(3-17-5)6(10,7(11,12)13)8(14,15)16/h1-3H.
What are the key properties of 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine has a molecular weight of 281.56 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is sourced from PubChem (CID 138396390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).