[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

C13H14ClFN4 — CID 105261419

IUPAC[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCc1cnc(C(Cc2cccc(F)c2Cl)NN)nc1
InChIInChI=1S/C13H14ClFN4/c1-8-6-17-13(18-7-8)11(19-16)5-9-3-2-4-10(15)12(9)14/h2-4,6-7,11,19H,5,16H2,1H3
InChIKeyUVWPDMFAGJDDGF-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.32
Rot. Bonds4

About [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (PubChem CID 105261419) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
PubChem CID105261419
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCc1cnc(C(Cc2cccc(F)c2Cl)NN)nc1
InChIInChI=1S/C13H14ClFN4/c1-8-6-17-13(18-7-8)11(19-16)5-9-3-2-4-10(15)12(9)14/h2-4,6-7,11,19H,5,16H2,1H3
InChIKeyUVWPDMFAGJDDGF-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

[2-(2-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261749
[2-(2-chloro-3-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209115
[2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105332792
[2-(3-chlorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261694
[2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261623
[2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105219307
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778
[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212595
[1-(5-methylpyrimidin-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105261543
2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105178948
3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105264497

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (CID 105261419) is [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is Cc1cnc(C(Cc2cccc(F)c2Cl)NN)nc1.
What is the InChIKey of [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The InChIKey is UVWPDMFAGJDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-8-6-17-13(18-7-8)11(19-16)5-9-3-2-4-10(15)12(9)14/h2-4,6-7,11,19H,5,16H2,1H3.
What are the key properties of [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine has a molecular weight of 280.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).