1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

C11H6ClF3N2O2 — CID 69086442

IUPAC1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1nccc(C(F)(F)F)c1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-8-6(11(13,14)15)3-4-16-9(8)17-5-1-2-7(17)10(18)19/h1-5H,(H,18,19)
InChIKeyKZZJHLDZDGQGDE-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.24
Rot. Bonds2

About 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (PubChem CID 69086442) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
PubChem CID69086442
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1nccc(C(F)(F)F)c1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-8-6(11(13,14)15)3-4-16-9(8)17-5-1-2-7(17)10(18)19/h1-5H,(H,18,19)
InChIKeyKZZJHLDZDGQGDE-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (CID 69086442) is 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1nccc(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The InChIKey is KZZJHLDZDGQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-8-6(11(13,14)15)3-4-16-9(8)17-5-1-2-7(17)10(18)19/h1-5H,(H,18,19).
What are the key properties of 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid has a molecular weight of 290.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 69086442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).