5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid

C12H6ClF3N2O2 — CID 68948738

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF3N2O2/c13-8-3-7(12(14,15)16)5-18-10(8)6-1-2-9(11(19)20)17-4-6/h1-5H,(H,19,20)
InChIKeyIIXOHHKGJXYHFE-UHFFFAOYSA-N
MW302.64 g/mol
LogP3.51
Rot. Bonds2

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 68948738) has the molecular formula C12H6ClF3N2O2 and a molecular weight of 302.64 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID68948738
Molecular FormulaC12H6ClF3N2O2
Molecular Weight302.64 g/mol
Exact Mass302.01
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF3N2O2/c13-8-3-7(12(14,15)16)5-18-10(8)6-1-2-9(11(19)20)17-4-6/h1-5H,(H,19,20)
InChIKeyIIXOHHKGJXYHFE-UHFFFAOYSA-N
XLogP3.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 68948738) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is IIXOHHKGJXYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O2/c13-8-3-7(12(14,15)16)5-18-10(8)6-1-2-9(11(19)20)17-4-6/h1-5H,(H,19,20).
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 302.64 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68948738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).