carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine

C8H5ClF3NO2 — CID 161141422

IUPACcarbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
SMILESCc1cnc(Cl)cc1C(F)(F)F.O=C=O
InChIInChI=1S/C7H5ClF3N.CO2/c1-4-3-12-6(8)2-5(4)7(9,10)11;2-1-3/h2-3H,1H3;
InChIKeyUNMNPTCPZDHFIP-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.48
Rot. Bonds

About carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine

carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine (PubChem CID 161141422) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namecarbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
PubChem CID161141422
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Namecarbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
SMILESCc1cnc(Cl)cc1C(F)(F)F.O=C=O
InChIInChI=1S/C7H5ClF3N.CO2/c1-4-3-12-6(8)2-5(4)7(9,10)11;2-1-3/h2-3H,1H3;
InChIKeyUNMNPTCPZDHFIP-UHFFFAOYSA-N
XLogP2.48
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 146279885
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 83269005
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785052
4,5-ditert-butyl-2-chloropyridine
CID 155787493
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
(3E)-3-chloro-5-hydroxy-4-methyl-6-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]hepta-3,6-dien-2-one
CID 163806676
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 119021738

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine (CID 161141422) is carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine is Cc1cnc(Cl)cc1C(F)(F)F.O=C=O.
What is the InChIKey of carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is UNMNPTCPZDHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.CO2/c1-4-3-12-6(8)2-5(4)7(9,10)11;2-1-3/h2-3H,1H3;.
What are the key properties of carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine?
carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 239.58 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 161141422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).