6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine

C12H10BrFN2 — CID 63964064

IUPAC6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2cccc(Br)n2)cc1
InChIInChI=1S/C12H10BrFN2/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(14)7-5-9/h1-7H,8H2,(H,15,16)
InChIKeyDHYYPYKKRHXQEE-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.60
Rot. Bonds3

About 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine

6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 63964064) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID63964064
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2cccc(Br)n2)cc1
InChIInChI=1S/C12H10BrFN2/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(14)7-5-9/h1-7H,8H2,(H,15,16)
InChIKeyDHYYPYKKRHXQEE-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.60
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-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine (CID 63964064) is 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2cccc(Br)n2)cc1.
What is the InChIKey of 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is DHYYPYKKRHXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(14)7-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine?
6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 281.13 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63964064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).