4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H13F2N3O2 — CID 135775170

IUPAC4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc(F)cc2F)c1O
InChIInChI=1S/C14H13F2N3O2/c1-8-14(21)11(9(7-20)5-17-8)6-18-19-13-3-2-10(15)4-12(13)16/h2-6,19-21H,7H2,1H3/b18-6+
InChIKeyTVUHDIILOAAQJW-NGYBGAFCSA-N
MW293.27 g/mol
LogP2.31
Rot. Bonds4

About 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 135775170) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID135775170
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc(F)cc2F)c1O
InChIInChI=1S/C14H13F2N3O2/c1-8-14(21)11(9(7-20)5-17-8)6-18-19-13-3-2-10(15)4-12(13)16/h2-6,19-21H,7H2,1H3/b18-6+
InChIKeyTVUHDIILOAAQJW-NGYBGAFCSA-N
XLogP2.31
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-[(2E)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135614401
5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
CID 171151082
N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide
CID 135828729
4-[(4-aminophenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 146020844
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol
CID 4214543
N-(2-chlorophenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4039876
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 135560845
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1-phenylmethanesulfonamide;hydrochloride
CID 163327920
4-[(2,4-dichlorophenyl)methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828586
5-(hydroxymethyl)-2-methyl-4-(2-methylpropyliminomethyl)pyridin-3-ol
CID 137100245
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 135775170) is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ccc(F)cc2F)c1O.
What is the InChIKey of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is TVUHDIILOAAQJW-NGYBGAFCSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-14(21)11(9(7-20)5-17-8)6-18-19-13-3-2-10(15)4-12(13)16/h2-6,19-21H,7H2,1H3/b18-6+.
What are the key properties of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 293.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135775170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).