[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

C13H13ClFN3O — CID 105329661

IUPAC[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2c(F)cccc2Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-19-9-5-8(6-17-7-9)13(18-16)12-10(14)3-2-4-11(12)15/h2-7,13,18H,16H2,1H3
InChIKeyPULUNAPBJQDBHY-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.44
Rot. Bonds4

About [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105329661) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105329661
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2c(F)cccc2Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-19-9-5-8(6-17-7-9)13(18-16)12-10(14)3-2-4-11(12)15/h2-7,13,18H,16H2,1H3
InChIKeyPULUNAPBJQDBHY-UHFFFAOYSA-N
XLogP2.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2-fluoro-6-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105252584
[(2,3-dichlorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329733
[(2-chloro-6-fluorophenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292049
[(3-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105193182
[(2-chloro-6-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301084
[(2-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329831
[(2,6-difluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190790
[(2-chloro-6-fluorophenyl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 114275505
[(4-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105204218
[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[2-(2,6-difluorophenyl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105329677
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (CID 105329661) is [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is COc1cncc(C(NN)c2c(F)cccc2Cl)c1.
What is the InChIKey of [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is PULUNAPBJQDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-19-9-5-8(6-17-7-9)13(18-16)12-10(14)3-2-4-11(12)15/h2-7,13,18H,16H2,1H3.
What are the key properties of [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
[(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 281.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-6-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105329661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).