3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol

C13H8Cl2F3NO3 — CID 161256032

IUPAC3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
SMILESO=C(O)c1c(Cl)cncc1Cl.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H5F3O.C6H3Cl2NO2/c8-7(9,10)5-3-1-2-4-6(5)11;7-3-1-9-2-4(8)5(3)6(10)11/h1-4,11H;1-2H,(H,10,11)
InChIKeyVBXSMEZOOBXANT-UHFFFAOYSA-N
MW354.11 g/mol
LogP4.50
Rot. Bonds1

About 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol

3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol (PubChem CID 161256032) has the molecular formula C13H8Cl2F3NO3 and a molecular weight of 354.11 g/mol. Its IUPAC name is 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
PubChem CID161256032
Molecular FormulaC13H8Cl2F3NO3
Molecular Weight354.11 g/mol
Exact Mass352.98
IUPAC Name3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
SMILESO=C(O)c1c(Cl)cncc1Cl.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H5F3O.C6H3Cl2NO2/c8-7(9,10)5-3-1-2-4-6(5)11;7-3-1-9-2-4(8)5(3)6(10)11/h1-4,11H;1-2H,(H,10,11)
InChIKeyVBXSMEZOOBXANT-UHFFFAOYSA-N
XLogP4.50
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
2-(trifluoromethyl)phenol
CID 162212145
2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]oxy]phenol
CID 23053223
ethane;2-(trifluoromethyl)phenol
CID 142291947
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
2,6-bis(trichloromethyl)benzoic acid;2,6-bis(trifluoromethyl)benzoic acid
CID 159936045
2,6-dichlorobenzoic acid;2,2,2-trifluoroacetic acid
CID 68862706
3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 130981842
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
3-[2-chloro-6-(trifluoromethyl)phenyl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 155491026
1-chloro-2-(trifluoromethyl)benzene
CID 161495124

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol?
The IUPAC name of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol (CID 161256032) is 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol.
What is the SMILES notation for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol?
The canonical SMILES for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol is O=C(O)c1c(Cl)cncc1Cl.Oc1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol?
The InChIKey is VBXSMEZOOBXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.C6H3Cl2NO2/c8-7(9,10)5-3-1-2-4-6(5)11;7-3-1-9-2-4(8)5(3)6(10)11/h1-4,11H;1-2H,(H,10,11).
What are the key properties of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol?
3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol has a molecular weight of 354.11 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol is sourced from PubChem (CID 161256032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).