6-chloro-N,6-dimethyl-1H-pyridin-3-amine

C7H11ClN2 — CID 150427291

IUPAC6-chloro-N,6-dimethyl-1H-pyridin-3-amine
SMILESCNC1=CNC(C)(Cl)C=C1
InChIInChI=1S/C7H11ClN2/c1-7(8)4-3-6(9-2)5-10-7/h3-5,9-10H,1-2H3
InChIKeyHJAOEJHOZRELLJ-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.16
Rot. Bonds1

About 6-chloro-N,6-dimethyl-1H-pyridin-3-amine

6-chloro-N,6-dimethyl-1H-pyridin-3-amine (PubChem CID 150427291) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 6-chloro-N,6-dimethyl-1H-pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N,6-dimethyl-1H-pyridin-3-amine
PubChem CID150427291
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name6-chloro-N,6-dimethyl-1H-pyridin-3-amine
SMILESCNC1=CNC(C)(Cl)C=C1
InChIInChI=1S/C7H11ClN2/c1-7(8)4-3-6(9-2)5-10-7/h3-5,9-10H,1-2H3
InChIKeyHJAOEJHOZRELLJ-UHFFFAOYSA-N
XLogP1.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,6-dimethyl-1H-pyridin-3-amine?
The IUPAC name of 6-chloro-N,6-dimethyl-1H-pyridin-3-amine (CID 150427291) is 6-chloro-N,6-dimethyl-1H-pyridin-3-amine.
What is the SMILES notation for 6-chloro-N,6-dimethyl-1H-pyridin-3-amine?
The canonical SMILES for 6-chloro-N,6-dimethyl-1H-pyridin-3-amine is CNC1=CNC(C)(Cl)C=C1.
What is the InChIKey of 6-chloro-N,6-dimethyl-1H-pyridin-3-amine?
The InChIKey is HJAOEJHOZRELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-7(8)4-3-6(9-2)5-10-7/h3-5,9-10H,1-2H3.
What are the key properties of 6-chloro-N,6-dimethyl-1H-pyridin-3-amine?
6-chloro-N,6-dimethyl-1H-pyridin-3-amine has a molecular weight of 158.63 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,6-dimethyl-1H-pyridin-3-amine is sourced from PubChem (CID 150427291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).