4-chloro-N,2-dimethyl-1H-pyridin-2-amine

C₇H₁₁ClN₂ — CID 174519142

About 4-chloro-N,2-dimethyl-1H-pyridin-2-amine

4-chloro-N,2-dimethyl-1H-pyridin-2-amine (PubChem CID 174519142) has the molecular formula C₇H₁₁ClN₂ and a molecular weight of 158.63 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-1H-pyridin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-N,2-dimethyl-1H-pyridin-2-amine
• PubChem CID: 174519142
• Molecular Formula: C₇H₁₁ClN₂
• Molecular Weight: 158.63 g/mol
• Exact Mass: 158.06
• IUPAC Name: 4-chloro-N,2-dimethyl-1H-pyridin-2-amine
• SMILES: CNC1(C)C=C(Cl)C=CN1
• InChI: InChI=1S/C7H11ClN2/c1-7(9-2)5-6(8)3-4-10-7/h3-5,9-10H,1-2H3
• InChIKey: DGNMLTINMSDINU-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.63
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-1H-pyridin-2-amine?

The IUPAC name of 4-chloro-N,2-dimethyl-1H-pyridin-2-amine (CID 174519142) is 4-chloro-N,2-dimethyl-1H-pyridin-2-amine.

What is the SMILES notation for 4-chloro-N,2-dimethyl-1H-pyridin-2-amine?

The canonical SMILES for 4-chloro-N,2-dimethyl-1H-pyridin-2-amine is CNC1(C)C=C(Cl)C=CN1.

What is the InChIKey of 4-chloro-N,2-dimethyl-1H-pyridin-2-amine?

The InChIKey is DGNMLTINMSDINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-7(9-2)5-6(8)3-4-10-7/h3-5,9-10H,1-2H3.

What are the key properties of 4-chloro-N,2-dimethyl-1H-pyridin-2-amine?

4-chloro-N,2-dimethyl-1H-pyridin-2-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 4-chloro-N,2-dimethyl-1H-pyridin-2-amine is sourced from PubChem (CID 174519142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174519142 — identifiers, structure, computed properties (public domain)

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