6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide

C14H14ClN3O2 — CID 106908889

IUPAC6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCc1ccc(Cl)c(OCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C14H14ClN3O2/c1-9-5-6-11(15)13(7-9)20-8-10-3-2-4-12(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyBBNNBLRMUONMDM-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.23
Rot. Bonds4

About 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide

6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 106908889) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID106908889
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCc1ccc(Cl)c(OCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C14H14ClN3O2/c1-9-5-6-11(15)13(7-9)20-8-10-3-2-4-12(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyBBNNBLRMUONMDM-UHFFFAOYSA-N
XLogP2.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.23
H-Bond Donors ≤ 52
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

6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908806
[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
CID 143311484
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbohydrazide
CID 107714185
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
CID 58210525
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide (CID 106908889) is 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide is Cc1ccc(Cl)c(OCc2cccc(C(=O)NN)n2)c1.
What is the InChIKey of 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is BBNNBLRMUONMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-5-6-11(15)13(7-9)20-8-10-3-2-4-12(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide?
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 291.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).