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

C11H7ClF3N3O — CID 4637342

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7ClF3N3O/c12-7-4-6(11(13,14)15)5-17-10(7)18-3-1-2-8(18)9(16)19/h1-5H,(H2,16,19)
InChIKeyRDFYHUIFHFTFOT-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.64
Rot. Bonds2

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide (PubChem CID 4637342) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide
PubChem CID4637342
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7ClF3N3O/c12-7-4-6(11(13,14)15)5-17-10(7)18-3-1-2-8(18)9(16)19/h1-5H,(H2,16,19)
InChIKeyRDFYHUIFHFTFOT-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide (CID 4637342) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide is NC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide?
The InChIKey is RDFYHUIFHFTFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-7-4-6(11(13,14)15)5-17-10(7)18-3-1-2-8(18)9(16)19/h1-5H,(H2,16,19).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxamide has a molecular weight of 289.64 g/mol, XLogP of 2.64, 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-carboxamide is sourced from PubChem (CID 4637342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).