6-chloro-3-propylpyridin-2-amine

C8H11ClN2 — CID 71433192

IUPAC6-chloro-3-propylpyridin-2-amine
SMILESCCCc1ccc(Cl)nc1N
InChIInChI=1S/C8H11ClN2/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyGDWBSBZRPUSBCM-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.27
Rot. Bonds2

About 6-chloro-3-propylpyridin-2-amine

6-chloro-3-propylpyridin-2-amine (PubChem CID 71433192) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 6-chloro-3-propylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-propylpyridin-2-amine
PubChem CID71433192
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name6-chloro-3-propylpyridin-2-amine
SMILESCCCc1ccc(Cl)nc1N
InChIInChI=1S/C8H11ClN2/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3,(H2,10,11)
InChIKeyGDWBSBZRPUSBCM-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propylpyridin-2-amine?
The IUPAC name of 6-chloro-3-propylpyridin-2-amine (CID 71433192) is 6-chloro-3-propylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-propylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-propylpyridin-2-amine is CCCc1ccc(Cl)nc1N.
What is the InChIKey of 6-chloro-3-propylpyridin-2-amine?
The InChIKey is GDWBSBZRPUSBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3,(H2,10,11).
What are the key properties of 6-chloro-3-propylpyridin-2-amine?
6-chloro-3-propylpyridin-2-amine has a molecular weight of 170.64 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propylpyridin-2-amine is sourced from PubChem (CID 71433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).