1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

C11H6ClF3N2O2 — CID 3531599

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h1-5H,(H,18,19)
InChIKeyFTWROMRBDBEOJF-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.24
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (PubChem CID 3531599) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
PubChem CID3531599
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h1-5H,(H,18,19)
InChIKeyFTWROMRBDBEOJF-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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Related Compounds

2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 4637342
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid
CID 16783464
6-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 63650619
(2S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid
CID 5304877
{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}methanol
CID 2763496
ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxylate
CID 3801475
methyl 4-[[(5-chloro-2-pyridinyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 75498205
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbaldehyde
CID 2773905
1-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}-1-ethanol
CID 3829196
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 11392184
3-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22484979

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (CID 3531599) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The InChIKey is FTWROMRBDBEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h1-5H,(H,18,19).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
1-[3-chloro-5-(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-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 3531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).