(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine

C5H5ClFN3 — CID 156595209

IUPAC(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine
SMILESN/N=C1\C=CC(Cl)C(F)=N1
InChIInChI=1S/C5H5ClFN3/c6-3-1-2-4(10-8)9-5(3)7/h1-3H,8H2/b10-4+
InChIKeyFEVZKVNJTDPLKZ-ONNFQVAWSA-N
MW161.57 g/mol
LogP0.80
Rot. Bonds

About (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine

(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine (PubChem CID 156595209) has the molecular formula C5H5ClFN3 and a molecular weight of 161.57 g/mol. Its IUPAC name is (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine.

Molecular Properties

Compound Name(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine
PubChem CID156595209
Molecular FormulaC5H5ClFN3
Molecular Weight161.57 g/mol
Exact Mass161.02
IUPAC Name(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine
SMILESN/N=C1\C=CC(Cl)C(F)=N1
InChIInChI=1S/C5H5ClFN3/c6-3-1-2-4(10-8)9-5(3)7/h1-3H,8H2/b10-4+
InChIKeyFEVZKVNJTDPLKZ-ONNFQVAWSA-N
XLogP0.80
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.57
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-(3-chloro-2,5-difluoro-3H-pyridin-6-ylidene)hydrazine
CID 156594272
(Z)-(3-chloro-3H-pyridin-2-ylidene)hydrazine
CID 156588332
(E)-(3-chloro-3H-pyridin-6-ylidene)hydrazine
CID 178186148

Frequently Asked Questions

What is the IUPAC name of (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine?
The IUPAC name of (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine (CID 156595209) is (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine.
What is the SMILES notation for (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine?
The canonical SMILES for (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine is N/N=C1\C=CC(Cl)C(F)=N1.
What is the InChIKey of (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine?
The InChIKey is FEVZKVNJTDPLKZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C5H5ClFN3/c6-3-1-2-4(10-8)9-5(3)7/h1-3H,8H2/b10-4+.
What are the key properties of (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine?
(E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine has a molecular weight of 161.57 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(3-chloro-2-fluoro-3H-pyridin-6-ylidene)hydrazine is sourced from PubChem (CID 156595209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).