3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine

C8H11ClF2N4 — CID 105265616

IUPAC3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(NN)C(F)(F)Cl
InChIInChI=1S/C8H11ClF2N4/c1-4-2-3-14-7(12)5(4)6(15-13)8(9,10)11/h2-3,6,15H,13H2,1H3,(H2,12,14)
InChIKeyFQWIXRBXIWRHQD-UHFFFAOYSA-N
MW236.65 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine

3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine (PubChem CID 105265616) has the molecular formula C8H11ClF2N4 and a molecular weight of 236.65 g/mol. Its IUPAC name is 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
PubChem CID105265616
Molecular FormulaC8H11ClF2N4
Molecular Weight236.65 g/mol
Exact Mass236.06
IUPAC Name3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(NN)C(F)(F)Cl
InChIInChI=1S/C8H11ClF2N4/c1-4-2-3-14-7(12)5(4)6(15-13)8(9,10)11/h2-3,6,15H,13H2,1H3,(H2,12,14)
InChIKeyFQWIXRBXIWRHQD-UHFFFAOYSA-N
XLogP1.31
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenyl)-1-hydrazinyl-2-methylpropyl]-4-methylpyridin-2-amine
CID 105223679
1-(2-amino-4-methyl-3-pyridinyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79054091
3-[(3-fluoro-4-pyridinyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105258705
3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine
CID 79954083
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
3-[(2-aminophenyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105223965
[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265553
3-[1-hydrazinyl-2-(2-methylphenyl)ethyl]-4-methylpyridin-2-amine
CID 105208463
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
3-(1-hydrazinyl-2-pyridin-2-ylethyl)-4-methylpyridin-2-amine
CID 105200002
3-(1-amino-2-methoxy-2-methylpropyl)-4-methylpyridin-2-amine
CID 79197414
(2-amino-4-methyl-3-pyridinyl)-(2-methylfuran-3-yl)methanol
CID 104789433

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine (CID 105265616) is 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(NN)C(F)(F)Cl.
What is the InChIKey of 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine?
The InChIKey is FQWIXRBXIWRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N4/c1-4-2-3-14-7(12)5(4)6(15-13)8(9,10)11/h2-3,6,15H,13H2,1H3,(H2,12,14).
What are the key properties of 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine?
3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine has a molecular weight of 236.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 105265616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).