6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide

C14H11FN4O2 — CID 107668852

IUPAC6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NN)n2)c(F)c1
InChIInChI=1S/C14H11FN4O2/c15-11-6-9(7-16)4-5-13(11)21-8-10-2-1-3-12(18-10)14(20)19-17/h1-6H,8,17H2,(H,19,20)
InChIKeyBBHWUFQJIIMKEN-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.27
Rot. Bonds4

About 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide

6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 107668852) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID107668852
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NN)n2)c(F)c1
InChIInChI=1S/C14H11FN4O2/c15-11-6-9(7-16)4-5-13(11)21-8-10-2-1-3-12(18-10)14(20)19-17/h1-6H,8,17H2,(H,19,20)
InChIKeyBBHWUFQJIIMKEN-UHFFFAOYSA-N
XLogP1.27
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908806
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbohydrazide
CID 107714185
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
butyl 4-[[6-[(4-cyano-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 175773781
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468338

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide (CID 107668852) is 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide is N#Cc1ccc(OCc2cccc(C(=O)NN)n2)c(F)c1.
What is the InChIKey of 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is BBHWUFQJIIMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-11-6-9(7-16)4-5-13(11)21-8-10-2-1-3-12(18-10)14(20)19-17/h1-6H,8,17H2,(H,19,20).
What are the key properties of 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide?
6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 286.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 107668852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).