5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid

C13H11F2N3O3 — CID 114609053

IUPAC5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2CC(F)F)cn1
InChIInChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-8-3-4-9(13(20)21)16-6-8/h1-6,11H,7H2,(H,17,19)(H,20,21)
InChIKeySZUVZRRPLRMLMS-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.10
Rot. Bonds5

About 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 114609053) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID114609053
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2CC(F)F)cn1
InChIInChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-8-3-4-9(13(20)21)16-6-8/h1-6,11H,7H2,(H,17,19)(H,20,21)
InChIKeySZUVZRRPLRMLMS-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608880
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996
1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
CID 114609446
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
CID 114609452
5-acetamidopyridine-2-carboxylic acid
CID 5278292

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 114609053) is 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccn2CC(F)F)cn1.
What is the InChIKey of 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SZUVZRRPLRMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-8-3-4-9(13(20)21)16-6-8/h1-6,11H,7H2,(H,17,19)(H,20,21).
What are the key properties of 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 295.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114609053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).