3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine

C14H16ClFN4 — CID 105264497

IUPAC3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C14H16ClFN4/c1-8-5-10(14(17)19-7-8)12(20-18)6-9-3-2-4-11(15)13(9)16/h2-5,7,12,20H,6,18H2,1H3,(H2,17,19)
InChIKeyBDJPJOJANNEKBS-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine

3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine (PubChem CID 105264497) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
PubChem CID105264497
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C14H16ClFN4/c1-8-5-10(14(17)19-7-8)12(20-18)6-9-3-2-4-11(15)13(9)16/h2-5,7,12,20H,6,18H2,1H3,(H2,17,19)
InChIKeyBDJPJOJANNEKBS-UHFFFAOYSA-N
XLogP2.51
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.51
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-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105195089
[1-(2-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868674
4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 102867831
[1-(2-chloro-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105397954
[2-(3-chloro-2-fluorophenyl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105264357
3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 64714351
[2-(3-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105264375
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105264388
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
[1-(2-bromo-4-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 107997395
[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
CID 102868631

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine (CID 105264497) is 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(Cc2cccc(Cl)c2F)NN)c1.
What is the InChIKey of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The InChIKey is BDJPJOJANNEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-8-5-10(14(17)19-7-8)12(20-18)6-9-3-2-4-11(15)13(9)16/h2-5,7,12,20H,6,18H2,1H3,(H2,17,19).
What are the key properties of 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine has a molecular weight of 294.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105264497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).