5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid

C11H13F2N3O4 — CID 107481732

IUPAC5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)N(CCO)CC(F)F)cn1
InChIInChI=1S/C11H13F2N3O4/c12-9(13)6-16(3-4-17)11(20)15-7-1-2-8(10(18)19)14-5-7/h1-2,5,9,17H,3-4,6H2,(H,15,20)(H,18,19)
InChIKeyPDQUGCBVLJMZQX-UHFFFAOYSA-N
MW289.24 g/mol
LogP0.87
Rot. Bonds6

About 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid

5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 107481732) has the molecular formula C11H13F2N3O4 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID107481732
Molecular FormulaC11H13F2N3O4
Molecular Weight289.24 g/mol
Exact Mass289.09
IUPAC Name5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)N(CCO)CC(F)F)cn1
InChIInChI=1S/C11H13F2N3O4/c12-9(13)6-16(3-4-17)11(20)15-7-1-2-8(10(18)19)14-5-7/h1-2,5,9,17H,3-4,6H2,(H,15,20)(H,18,19)
InChIKeyPDQUGCBVLJMZQX-UHFFFAOYSA-N
XLogP0.87
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
CID 107481817
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 119050745
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107483074
5-acetamidopyridine-2-carboxylic acid
CID 5278292
1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 167772374
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 107481732) is 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)N(CCO)CC(F)F)cn1.
What is the InChIKey of 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is PDQUGCBVLJMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O4/c12-9(13)6-16(3-4-17)11(20)15-7-1-2-8(10(18)19)14-5-7/h1-2,5,9,17H,3-4,6H2,(H,15,20)(H,18,19).
What are the key properties of 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 289.24 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107481732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).