2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide

C9H9Cl2N3O — CID 27511

IUPAC2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide
SMILESCC(C)=NNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-5(2)13-14-9(15)6-3-7(10)12-8(11)4-6/h3-4H,1-2H3,(H,14,15)
InChIKeyQGHBIZMKYMHCAX-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.51
Rot. Bonds2

About 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide

2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide (PubChem CID 27511) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide
PubChem CID27511
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide
SMILESCC(C)=NNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-5(2)13-14-9(15)6-3-7(10)12-8(11)4-6/h3-4H,1-2H3,(H,14,15)
InChIKeyQGHBIZMKYMHCAX-UHFFFAOYSA-N
XLogP2.51
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Chloropyridine-4-carbohydrazide
CID 236206
N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6920356
Isonicotinic acid, 2,6-dichloro-, hydrazide
CID 42563
3-Chloro-N'-[(E)-(6-methylpyridin-2-YL)methylidene]benzohydrazide
CID 9675542
Abbott-28440
CID 30125
2,6-Dichloroisonicotinamide
CID 2781802
Isonicotinic acid, 2,6-dichloro-, 1-methylhydrazide
CID 42564
Isonicotinohydroxamic acid, 2,6-dichloro-
CID 42572
1-(2-Chloro-6-methylpyridin-4-yl)ethan-1-one
CID 18715035
2-Chloro-6-methylpyridine-4-carboxamide
CID 59534429
7-chloro-1H,2H-pyrido(3,4-d)pyridazin-1-one
CID 156495773
N'-(1-(2-chlorophenyl)ethylidene)isonicotinohydrazide
CID 247802

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide (CID 27511) is 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide is CC(C)=NNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide?
The InChIKey is QGHBIZMKYMHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-5(2)13-14-9(15)6-3-7(10)12-8(11)4-6/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide?
2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide has a molecular weight of 246.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 27511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).