5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine

C12H11Cl2FN4 — CID 105215434

IUPAC5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
SMILESNNC(c1ccc(F)cc1Cl)c1cc(Cl)cnc1N
InChIInChI=1S/C12H11Cl2FN4/c13-6-3-9(12(16)18-5-6)11(19-17)8-2-1-7(15)4-10(8)14/h1-5,11,19H,17H2,(H2,16,18)
InChIKeyXJTKYPHPTUFYDK-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine

5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine (PubChem CID 105215434) has the molecular formula C12H11Cl2FN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
PubChem CID105215434
Molecular FormulaC12H11Cl2FN4
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
SMILESNNC(c1ccc(F)cc1Cl)c1cc(Cl)cnc1N
InChIInChI=1S/C12H11Cl2FN4/c13-6-3-9(12(16)18-5-6)11(19-17)8-2-1-7(15)4-10(8)14/h1-5,11,19H,17H2,(H2,16,18)
InChIKeyXJTKYPHPTUFYDK-UHFFFAOYSA-N
XLogP2.66
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.66
H-Bond Donors ≤ 53
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

5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
CID 105199320
[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105215398
3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105231228
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
3-[(5-amino-1-methylpyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105230884
[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105280098
[(4-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105303405
5-chloro-3-[2-(3-fluorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105204807
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277
5-chloro-3-[hydrazinyl(1H-imidazol-2-yl)methyl]pyridin-2-amine
CID 105252211
5-chloro-3-[hydrazinyl-(2-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 105260556
[(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105397805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine (CID 105215434) is 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine is NNC(c1ccc(F)cc1Cl)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine?
The InChIKey is XJTKYPHPTUFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4/c13-6-3-9(12(16)18-5-6)11(19-17)8-2-1-7(15)4-10(8)14/h1-5,11,19H,17H2,(H2,16,18).
What are the key properties of 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine?
5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine has a molecular weight of 301.15 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine is sourced from PubChem (CID 105215434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).