3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid

C13H11F2N3O3 — CID 114608880

IUPAC3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-9-6-16-4-3-8(9)13(20)21/h1-6,11H,7H2,(H,17,19)(H,20,21)
InChIKeyNNUSOSGGIYFVKL-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.10
Rot. Bonds5

About 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid

3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid (PubChem CID 114608880) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
PubChem CID114608880
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-9-6-16-4-3-8(9)13(20)21/h1-6,11H,7H2,(H,17,19)(H,20,21)
InChIKeyNNUSOSGGIYFVKL-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

2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609318
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid (CID 114608880) is 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NC(=O)c1cccn1CC(F)F.
What is the InChIKey of 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The InChIKey is NNUSOSGGIYFVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c14-11(15)7-18-5-1-2-10(18)12(19)17-9-6-16-4-3-8(9)13(20)21/h1-6,11H,7H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-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 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114608880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).