N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride

C9H10Cl2N2 — CID 135376065

IUPACN-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride
SMILESCC(C)/C(Cl)=N/c1cccc(Cl)n1
InChIInChI=1S/C9H10Cl2N2/c1-6(2)9(11)13-8-5-3-4-7(10)12-8/h3-6H,1-2H3/b13-9-
InChIKeyNPIXJZHEXXWSCL-LCYFTJDESA-N
MW217.10 g/mol
LogP3.66
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride

N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride (PubChem CID 135376065) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride
PubChem CID135376065
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC NameN-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride
SMILESCC(C)/C(Cl)=N/c1cccc(Cl)n1
InChIInChI=1S/C9H10Cl2N2/c1-6(2)9(11)13-8-5-3-4-7(10)12-8/h3-6H,1-2H3/b13-9-
InChIKeyNPIXJZHEXXWSCL-LCYFTJDESA-N
XLogP3.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-2-pyridinyl)guanidine
CID 130056274
bis(2,6-dichloropyridine);palladium(2+);chloride
CID 71744970
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
3-[(6-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770920
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
2-chloro-6-methylpyridine;hydrochloride
CID 22645126
2-chloro-6-(2,3-dimethylbutoxy)pyridine
CID 141282553
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
2-chloro-6-(3-methylbut-2-en-2-yl)pyridine
CID 59497733
2-chloro-6-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 103487963
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride (CID 135376065) is N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride is CC(C)/C(Cl)=N/c1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride?
The InChIKey is NPIXJZHEXXWSCL-LCYFTJDESA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-6(2)9(11)13-8-5-3-4-7(10)12-8/h3-6H,1-2H3/b13-9-.
What are the key properties of N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride?
N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride has a molecular weight of 217.10 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-methylpropanimidoyl chloride is sourced from PubChem (CID 135376065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).