2-bromo-N-pentylpyridin-3-amine

C10H15BrN2 — CID 88814302

IUPAC2-bromo-N-pentylpyridin-3-amine
SMILESCCCCCNc1cccnc1Br
InChIInChI=1S/C10H15BrN2/c1-2-3-4-7-12-9-6-5-8-13-10(9)11/h5-6,8,12H,2-4,7H2,1H3
InChIKeyUMSFCUUFMVNGCR-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.45
Rot. Bonds5

About 2-bromo-N-pentylpyridin-3-amine

2-bromo-N-pentylpyridin-3-amine (PubChem CID 88814302) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-bromo-N-pentylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-pentylpyridin-3-amine
PubChem CID88814302
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-bromo-N-pentylpyridin-3-amine
SMILESCCCCCNc1cccnc1Br
InChIInChI=1S/C10H15BrN2/c1-2-3-4-7-12-9-6-5-8-13-10(9)11/h5-6,8,12H,2-4,7H2,1H3
InChIKeyUMSFCUUFMVNGCR-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.45
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 2-bromo-N-pentylpyridin-3-amine?
The IUPAC name of 2-bromo-N-pentylpyridin-3-amine (CID 88814302) is 2-bromo-N-pentylpyridin-3-amine.
What is the SMILES notation for 2-bromo-N-pentylpyridin-3-amine?
The canonical SMILES for 2-bromo-N-pentylpyridin-3-amine is CCCCCNc1cccnc1Br.
What is the InChIKey of 2-bromo-N-pentylpyridin-3-amine?
The InChIKey is UMSFCUUFMVNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-2-3-4-7-12-9-6-5-8-13-10(9)11/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 2-bromo-N-pentylpyridin-3-amine?
2-bromo-N-pentylpyridin-3-amine has a molecular weight of 243.15 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentylpyridin-3-amine is sourced from PubChem (CID 88814302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).