6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide

C14H14BrN3O3 — CID 83137072

IUPAC6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(Br)c1OCc1ccc(C(=O)NN)cn1
InChIInChI=1S/C14H14BrN3O3/c1-20-12-4-2-3-11(15)13(12)21-8-10-6-5-9(7-17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyVXLQQIGYWDCUBM-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.04
Rot. Bonds5

About 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide

6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide (PubChem CID 83137072) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
PubChem CID83137072
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(Br)c1OCc1ccc(C(=O)NN)cn1
InChIInChI=1S/C14H14BrN3O3/c1-20-12-4-2-3-11(15)13(12)21-8-10-6-5-9(7-17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyVXLQQIGYWDCUBM-UHFFFAOYSA-N
XLogP2.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.04
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

3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 83135085
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
CID 107508214
2,6-dimethoxybenzohydrazide
CID 2806104
[6-[(2-bromo-6-methoxyphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 83140587
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide (CID 83137072) is 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide is COc1cccc(Br)c1OCc1ccc(C(=O)NN)cn1.
What is the InChIKey of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide?
The InChIKey is VXLQQIGYWDCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-20-12-4-2-3-11(15)13(12)21-8-10-6-5-9(7-17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide?
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide has a molecular weight of 352.19 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 83137072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).