[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine

C12H10BrClFN3O — CID 114042777

IUPAC[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2cc(F)c(Cl)cc2Br)c1
InChIInChI=1S/C12H10BrClFN3O/c13-9-4-10(14)11(15)5-12(9)19-6-8-3-7(18-16)1-2-17-8/h1-5H,6,16H2,(H,17,18)
InChIKeyNCRVBWYPOVIURO-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.50
Rot. Bonds4

About [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine

[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 114042777) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID114042777
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2cc(F)c(Cl)cc2Br)c1
InChIInChI=1S/C12H10BrClFN3O/c13-9-4-10(14)11(15)5-12(9)19-6-8-3-7(18-16)1-2-17-8/h1-5H,6,16H2,(H,17,18)
InChIKeyNCRVBWYPOVIURO-UHFFFAOYSA-N
XLogP3.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-difluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260041
[2-[(2-chloro-5-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259210
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404
[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 103290223
2-[(4-bromo-2,5-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
CID 107660633
[2-[(1-bromonaphthalen-2-yl)oxymethyl]-4-pyridinyl]hydrazine
CID 79262180
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
[2-[(4-iodophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260216
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
[2-(propoxymethyl)-4-pyridinyl]hydrazine
CID 79259211
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine (CID 114042777) is [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine is NNc1ccnc(COc2cc(F)c(Cl)cc2Br)c1.
What is the InChIKey of [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is NCRVBWYPOVIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c13-9-4-10(14)11(15)5-12(9)19-6-8-3-7(18-16)1-2-17-8/h1-5H,6,16H2,(H,17,18).
What are the key properties of [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 346.59 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 114042777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).