[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine

C12H12ClFN4 — CID 107895625

IUPAC[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)c1cncnc1
InChIInChI=1S/C12H12ClFN4/c13-10-2-1-8(3-11(10)14)4-12(18-15)9-5-16-7-17-6-9/h1-3,5-7,12,18H,4,15H2
InChIKeyWVFFNYJUSMEIPN-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.02
Rot. Bonds4

About [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine

[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine (PubChem CID 107895625) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
PubChem CID107895625
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)c1cncnc1
InChIInChI=1S/C12H12ClFN4/c13-10-2-1-8(3-11(10)14)4-12(18-15)9-5-16-7-17-6-9/h1-3,5-7,12,18H,4,15H2
InChIKeyWVFFNYJUSMEIPN-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.02
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-(4-chloro-3-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 114013717
[2-(4-chloro-3-fluorophenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 114013667
[2-(4-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 107894768
[2-(4-chloro-3-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 107895613
[1-(3-bromo-5-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 114013693
[2-(4-chloro-3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 107894760
(2-naphthalen-2-yl-1-pyrimidin-5-ylethyl)hydrazine
CID 105292158
[2-(4-chloro-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107895525
[2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192617
[2-(4-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 107895012
[2-(4-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 107894963
[2-(4-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 107895008

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine (CID 107895625) is [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine is NNC(Cc1ccc(Cl)c(F)c1)c1cncnc1.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The InChIKey is WVFFNYJUSMEIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c13-10-2-1-8(3-11(10)14)4-12(18-15)9-5-16-7-17-6-9/h1-3,5-7,12,18H,4,15H2.
What are the key properties of [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine has a molecular weight of 266.71 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine is sourced from PubChem (CID 107895625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).