2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine

C7H4ClF4NO — CID 119021842

IUPAC2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1c(F)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF4NO/c1-3-4(9)2-13-6(8)5(3)14-7(10,11)12/h2H,1H3
InChIKeyNKDVZUYDPPYAJK-UHFFFAOYSA-N
MW229.56 g/mol
LogP3.08
Rot. Bonds1

About 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine

2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 119021842) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
PubChem CID119021842
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1c(F)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF4NO/c1-3-4(9)2-13-6(8)5(3)14-7(10,11)12/h2H,1H3
InChIKeyNKDVZUYDPPYAJK-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 53.08
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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Related Compounds

5-chloro-2-fluoro-3-methyl-4-(trifluoromethoxy)pyridine
CID 130951618
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478
2-chloro-5-fluoro-3-(trifluoromethoxy)pyridine
CID 119020397
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine (CID 119021842) is 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine is Cc1c(F)cnc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is NKDVZUYDPPYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c1-3-4(9)2-13-6(8)5(3)14-7(10,11)12/h2H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine?
2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 229.56 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119021842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).