N-butyl-6-chloropyridin-3-amine

C9H13ClN2 — CID 22450493

IUPACN-butyl-6-chloropyridin-3-amine
SMILESCCCCNc1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2/c1-2-3-6-11-8-4-5-9(10)12-7-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyDZJGEJZWUVEHEJ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.95
Rot. Bonds4

About N-butyl-6-chloropyridin-3-amine

N-butyl-6-chloropyridin-3-amine (PubChem CID 22450493) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N-butyl-6-chloropyridin-3-amine.

Molecular Properties

Compound NameN-butyl-6-chloropyridin-3-amine
PubChem CID22450493
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN-butyl-6-chloropyridin-3-amine
SMILESCCCCNc1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2/c1-2-3-6-11-8-4-5-9(10)12-7-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyDZJGEJZWUVEHEJ-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloropyridin-3-amine?
The IUPAC name of N-butyl-6-chloropyridin-3-amine (CID 22450493) is N-butyl-6-chloropyridin-3-amine.
What is the SMILES notation for N-butyl-6-chloropyridin-3-amine?
The canonical SMILES for N-butyl-6-chloropyridin-3-amine is CCCCNc1ccc(Cl)nc1.
What is the InChIKey of N-butyl-6-chloropyridin-3-amine?
The InChIKey is DZJGEJZWUVEHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-3-6-11-8-4-5-9(10)12-7-8/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of N-butyl-6-chloropyridin-3-amine?
N-butyl-6-chloropyridin-3-amine has a molecular weight of 184.67 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloropyridin-3-amine is sourced from PubChem (CID 22450493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).