2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine

C9H9ClF3N — CID 135179269

IUPAC2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13/h3-5H,1-2H3
InChIKeyFUZMBZSQANKVPC-UHFFFAOYSA-N
MW223.62 g/mol
LogP3.88
Rot. Bonds1

About 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine

2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 135179269) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID135179269
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13/h3-5H,1-2H3
InChIKeyFUZMBZSQANKVPC-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 53.88
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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Related Compounds

ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638
2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 176930322
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 138551515
carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
CID 161141422
4,5-ditert-butyl-2-chloropyridine
CID 155787493
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
CID 167456388
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 146279885
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
6-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 135179269) is 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cnc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is FUZMBZSQANKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 223.62 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 135179269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).