[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C12H10BrFN4O3 — CID 62466110

IUPAC[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(COc2c(Br)cc(F)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H10BrFN4O3/c13-9-4-8(14)5-10(18(19)20)12(9)21-6-7-1-2-16-11(3-7)17-15/h1-5H,6,15H2,(H,16,17)
InChIKeyCVXGTXPWBKKCQH-UHFFFAOYSA-N
MW357.14 g/mol
LogP2.76
Rot. Bonds5

About [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62466110) has the molecular formula C12H10BrFN4O3 and a molecular weight of 357.14 g/mol. Its IUPAC name is [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62466110
Molecular FormulaC12H10BrFN4O3
Molecular Weight357.14 g/mol
Exact Mass355.99
IUPAC Name[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(COc2c(Br)cc(F)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H10BrFN4O3/c13-9-4-8(14)5-10(18(19)20)12(9)21-6-7-1-2-16-11(3-7)17-15/h1-5H,6,15H2,(H,16,17)
InChIKeyCVXGTXPWBKKCQH-UHFFFAOYSA-N
XLogP2.76
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
3-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514187
N-[2-(2-bromo-4-fluoro-6-nitrophenoxy)ethyl]propan-2-amine
CID 43379417
5-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79760663
ethyl 2-(2-bromo-4-fluoro-6-nitrophenoxy)acetate
CID 43092999
1,5-difluoro-3-nitro-2-phenylmethoxybenzene
CID 68842689
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465712
1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-5-fluoro-3-nitrobenzene
CID 103066054
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol
CID 113343635
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844534
[4-(phenoxymethyl)-2-pyridinyl]hydrazine
CID 62465905
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2,2-dimethylpropanoic acid
CID 79622272

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 62466110) is [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1cc(COc2c(Br)cc(F)cc2[N+](=O)[O-])ccn1.
What is the InChIKey of [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is CVXGTXPWBKKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O3/c13-9-4-8(14)5-10(18(19)20)12(9)21-6-7-1-2-16-11(3-7)17-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 357.14 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62466110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).