2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile

C9H7Cl3N4 — CID 793987

IUPAC2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile
SMILESCC(C)=NNc1nc(Cl)c(C#N)c(Cl)c1Cl
InChIInChI=1S/C9H7Cl3N4/c1-4(2)15-16-9-7(11)6(10)5(3-13)8(12)14-9/h1-2H3,(H,14,16)
InChIKeyDQOPLAKSLPWWBL-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.72
Rot. Bonds2

About 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile

2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile (PubChem CID 793987) has the molecular formula C9H7Cl3N4 and a molecular weight of 277.54 g/mol. Its IUPAC name is 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile
PubChem CID793987
Molecular FormulaC9H7Cl3N4
Molecular Weight277.54 g/mol
Exact Mass275.97
IUPAC Name2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile
SMILESCC(C)=NNc1nc(Cl)c(C#N)c(Cl)c1Cl
InChIInChI=1S/C9H7Cl3N4/c1-4(2)15-16-9-7(11)6(10)5(3-13)8(12)14-9/h1-2H3,(H,14,16)
InChIKeyDQOPLAKSLPWWBL-UHFFFAOYSA-N
XLogP3.72
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile (CID 793987) is 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile is CC(C)=NNc1nc(Cl)c(C#N)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile?
The InChIKey is DQOPLAKSLPWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4/c1-4(2)15-16-9-7(11)6(10)5(3-13)8(12)14-9/h1-2H3,(H,14,16).
What are the key properties of 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile?
2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile has a molecular weight of 277.54 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 793987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).