N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide

C9H9ClN4 — CID 156505096

IUPACN'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)nc1C#N
InChIInChI=1S/C9H9ClN4/c1-14(2)6-12-7-3-4-9(10)13-8(7)5-11/h3-4,6H,1-2H3/b12-6+
InChIKeyZUQWMQHIHYAFMP-WUXMJOGZSA-N
MW208.65 g/mol
LogP1.83
Rot. Bonds2

About N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide

N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 156505096) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID156505096
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC NameN'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)nc1C#N
InChIInChI=1S/C9H9ClN4/c1-14(2)6-12-7-3-4-9(10)13-8(7)5-11/h3-4,6H,1-2H3/b12-6+
InChIKeyZUQWMQHIHYAFMP-WUXMJOGZSA-N
XLogP1.83
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.83
H-Bond Donors ≤ 50
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': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide (CID 156505096) is N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(Cl)nc1C#N.
What is the InChIKey of N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is ZUQWMQHIHYAFMP-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14(2)6-12-7-3-4-9(10)13-8(7)5-11/h3-4,6H,1-2H3/b12-6+.
What are the key properties of N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 208.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 156505096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).