6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine

C8H9ClF3N — CID 141298632

IUPAC6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine
SMILESC[C@@H](N1CC=CC=C1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-6(8(10,11)12)13-5-3-2-4-7(13)9/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeyYNWJKXLYRGVSAX-ZCFIWIBFSA-N
MW211.61 g/mol
LogP2.89
Rot. Bonds1

About 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine

6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine (PubChem CID 141298632) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine.

Molecular Properties

Compound Name6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine
PubChem CID141298632
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine
SMILESC[C@@H](N1CC=CC=C1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-6(8(10,11)12)13-5-3-2-4-7(13)9/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeyYNWJKXLYRGVSAX-ZCFIWIBFSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine?
The IUPAC name of 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine (CID 141298632) is 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine.
What is the SMILES notation for 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine?
The canonical SMILES for 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine is C[C@@H](N1CC=CC=C1Cl)C(F)(F)F.
What is the InChIKey of 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine?
The InChIKey is YNWJKXLYRGVSAX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-6(8(10,11)12)13-5-3-2-4-7(13)9/h2-4,6H,5H2,1H3/t6-/m1/s1.
What are the key properties of 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine?
6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine has a molecular weight of 211.61 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyridine is sourced from PubChem (CID 141298632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).