1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide

C13H11ClF3N3O — CID 3787638

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h3-7H,1-2H3
InChIKeyFXGCTEDHBUBTKX-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.25
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide (PubChem CID 3787638) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide
PubChem CID3787638
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h3-7H,1-2H3
InChIKeyFXGCTEDHBUBTKX-UHFFFAOYSA-N
XLogP3.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide (CID 3787638) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide is CN(C)C(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide?
The InChIKey is FXGCTEDHBUBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h3-7H,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide has a molecular weight of 317.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 3787638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).