5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H7ClF5NO3 — CID 169249254

IUPAC5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(Oc2nc(C(F)(F)F)c(Cl)cc2C(=O)O)ccc(F)c1F
InChIInChI=1S/C14H7ClF5NO3/c1-5-9(3-2-8(16)10(5)17)24-12-6(13(22)23)4-7(15)11(21-12)14(18,19)20/h2-4H,1H3,(H,22,23)
InChIKeyRNSQZTDWMDPNRK-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.83
Rot. Bonds3

About 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 169249254) has the molecular formula C14H7ClF5NO3 and a molecular weight of 367.66 g/mol. Its IUPAC name is 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID169249254
Molecular FormulaC14H7ClF5NO3
Molecular Weight367.66 g/mol
Exact Mass367.00
IUPAC Name5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(Oc2nc(C(F)(F)F)c(Cl)cc2C(=O)O)ccc(F)c1F
InChIInChI=1S/C14H7ClF5NO3/c1-5-9(3-2-8(16)10(5)17)24-12-6(13(22)23)4-7(15)11(21-12)14(18,19)20/h2-4H,1H3,(H,22,23)
InChIKeyRNSQZTDWMDPNRK-UHFFFAOYSA-N
XLogP4.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249507
[5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169249652
3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
CID 175955629
tert-butyl N-[2-(3,4-difluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169249145
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
4,5-dichloro-2-fluoro-3-methylbenzoic acid
CID 155293772
2-(3,4-difluoro-2-methylanilino)-5-(trifluoromethyl)benzoic acid
CID 155452887
5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177358502
5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-(trifluoromethyl)benzoic acid
CID 88743011
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 64856053
ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5-methoxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250850
2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 59585047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 169249254) is 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1c(Oc2nc(C(F)(F)F)c(Cl)cc2C(=O)O)ccc(F)c1F.
What is the InChIKey of 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RNSQZTDWMDPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5NO3/c1-5-9(3-2-8(16)10(5)17)24-12-6(13(22)23)4-7(15)11(21-12)14(18,19)20/h2-4H,1H3,(H,22,23).
What are the key properties of 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 367.66 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 169249254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).