(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid

C8H9F4N3O2 — CID 68662138

IUPAC(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid
SMILESNNCc1cccnc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8FN3.C2HF3O2/c7-6-5(4-10-8)2-1-3-9-6;3-2(4,5)1(6)7/h1-3,10H,4,8H2;(H,6,7)
InChIKeyUJSQOKQGZFLGJP-UHFFFAOYSA-N
MW255.17 g/mol
LogP0.82
Rot. Bonds2

About (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid

(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid (PubChem CID 68662138) has the molecular formula C8H9F4N3O2 and a molecular weight of 255.17 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid
PubChem CID68662138
Molecular FormulaC8H9F4N3O2
Molecular Weight255.17 g/mol
Exact Mass255.06
IUPAC Name(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid
SMILESNNCc1cccnc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8FN3.C2HF3O2/c7-6-5(4-10-8)2-1-3-9-6;3-2(4,5)1(6)7/h1-3,10H,4,8H2;(H,6,7)
InChIKeyUJSQOKQGZFLGJP-UHFFFAOYSA-N
XLogP0.82
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-3-pyridinyl)methyl]acetamide
CID 130400765
[2-(hydrazinylmethyl)-3-pyridinyl]methylhydrazine;hydrochloride
CID 142768162
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
CID 144904179
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
3-(chloromethyl)-2-fluoropyridine
CID 22641304
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154887071
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
2-(3-hydrazinyl-2-pyridinyl)acetic acid
CID 141331560

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid (CID 68662138) is (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid is NNCc1cccnc1F.O=C(O)C(F)(F)F.
What is the InChIKey of (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is UJSQOKQGZFLGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3.C2HF3O2/c7-6-5(4-10-8)2-1-3-9-6;3-2(4,5)1(6)7/h1-3,10H,4,8H2;(H,6,7).
What are the key properties of (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid?
(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 255.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68662138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).