5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid

C9H4ClF6NO3 — CID 102721821

IUPAC5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(OC(C(F)(F)F)C(F)(F)F)ncc1Cl
InChIInChI=1S/C9H4ClF6NO3/c10-4-2-17-5(1-3(4)6(18)19)20-7(8(11,12)13)9(14,15)16/h1-2,7H,(H,18,19)
InChIKeyBMEQZAYZZQGNGS-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.31
Rot. Bonds3

About 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid

5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid (PubChem CID 102721821) has the molecular formula C9H4ClF6NO3 and a molecular weight of 323.58 g/mol. Its IUPAC name is 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid
PubChem CID102721821
Molecular FormulaC9H4ClF6NO3
Molecular Weight323.58 g/mol
Exact Mass322.98
IUPAC Name5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(OC(C(F)(F)F)C(F)(F)F)ncc1Cl
InChIInChI=1S/C9H4ClF6NO3/c10-4-2-17-5(1-3(4)6(18)19)20-7(8(11,12)13)9(14,15)16/h1-2,7H,(H,18,19)
InChIKeyBMEQZAYZZQGNGS-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
CID 170338068
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
CID 114916819
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid (CID 102721821) is 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid is O=C(O)c1cc(OC(C(F)(F)F)C(F)(F)F)ncc1Cl.
What is the InChIKey of 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid?
The InChIKey is BMEQZAYZZQGNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF6NO3/c10-4-2-17-5(1-3(4)6(18)19)20-7(8(11,12)13)9(14,15)16/h1-2,7H,(H,18,19).
What are the key properties of 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid?
5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid has a molecular weight of 323.58 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 102721821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).