[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine

C9H11ClF3N3O — CID 66277464

IUPAC[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine
SMILESCC(OCc1nc(NN)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c1-5(9(11,12)13)17-4-7-6(10)2-3-8(15-7)16-14/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyBDSJWPOIUWCLHD-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.49
Rot. Bonds4

About [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine

[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine (PubChem CID 66277464) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine
PubChem CID66277464
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine
SMILESCC(OCc1nc(NN)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c1-5(9(11,12)13)17-4-7-6(10)2-3-8(15-7)16-14/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyBDSJWPOIUWCLHD-UHFFFAOYSA-N
XLogP2.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine (CID 66277464) is [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine is CC(OCc1nc(NN)ccc1Cl)C(F)(F)F.
What is the InChIKey of [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine?
The InChIKey is BDSJWPOIUWCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-5(9(11,12)13)17-4-7-6(10)2-3-8(15-7)16-14/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine?
[5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine has a molecular weight of 269.65 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 66277464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).