2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide

C15H14ClN3O3 — CID 91310775

IUPAC2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide
SMILESCc1ncc(C=O)c(CNNC(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C15H14ClN3O3/c1-9-14(21)12(10(8-20)6-17-9)7-18-19-15(22)11-4-2-3-5-13(11)16/h2-6,8,18,21H,7H2,1H3,(H,19,22)
InChIKeyKANNQMSJNPMVPX-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.00
Rot. Bonds5

About 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide

2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide (PubChem CID 91310775) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide
PubChem CID91310775
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide
SMILESCc1ncc(C=O)c(CNNC(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C15H14ClN3O3/c1-9-14(21)12(10(8-20)6-17-9)7-18-19-15(22)11-4-2-3-5-13(11)16/h2-6,8,18,21H,7H2,1H3,(H,19,22)
InChIKeyKANNQMSJNPMVPX-UHFFFAOYSA-N
XLogP2.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide (CID 91310775) is 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide is Cc1ncc(C=O)c(CNNC(=O)c2ccccc2Cl)c1O.
What is the InChIKey of 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide?
The InChIKey is KANNQMSJNPMVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-14(21)12(10(8-20)6-17-9)7-18-19-15(22)11-4-2-3-5-13(11)16/h2-6,8,18,21H,7H2,1H3,(H,19,22).
What are the key properties of 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide?
2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide has a molecular weight of 319.75 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(5-formyl-3-hydroxy-2-methyl-4-pyridinyl)methyl]benzohydrazide is sourced from PubChem (CID 91310775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).