2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide

C8H9F2N3O2 — CID 14976002

IUPAC2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide
SMILESNNC(=O)C(F)(F)C(O)c1ccncc1
InChIInChI=1S/C8H9F2N3O2/c9-8(10,7(15)13-11)6(14)5-1-3-12-4-2-5/h1-4,6,14H,11H2,(H,13,15)
InChIKeyPVNZXZCVZYVLRP-UHFFFAOYSA-N
MW217.18 g/mol
LogP-0.26
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide

2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide (PubChem CID 14976002) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide
PubChem CID14976002
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide
SMILESNNC(=O)C(F)(F)C(O)c1ccncc1
InChIInChI=1S/C8H9F2N3O2/c9-8(10,7(15)13-11)6(14)5-1-3-12-4-2-5/h1-4,6,14H,11H2,(H,13,15)
InChIKeyPVNZXZCVZYVLRP-UHFFFAOYSA-N
XLogP-0.26
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropyl] acetate
CID 132541644
2-methyl-2-pyridin-4-ylpropanehydrazide;hydrochloride
CID 131964184
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid
CID 70603561
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol
CID 12946485
CID 69045386
CID 69045386
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
1,1,1-trifluoro-3-methyl-4-pyridin-4-ylbutan-2-one
CID 132934559

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide (CID 14976002) is 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide is NNC(=O)C(F)(F)C(O)c1ccncc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide?
The InChIKey is PVNZXZCVZYVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-8(10,7(15)13-11)6(14)5-1-3-12-4-2-5/h1-4,6,14H,11H2,(H,13,15).
What are the key properties of 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide?
2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide has a molecular weight of 217.18 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide is sourced from PubChem (CID 14976002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).