6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine

C10H11BrF2N2 — CID 130775007

IUPAC6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
SMILESFC1(F)CC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C10H11BrF2N2/c11-8-2-1-3-9(15-8)14-6-7-4-10(12,13)5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyPXKRHOWYDHYXMU-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine

6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine (PubChem CID 130775007) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
PubChem CID130775007
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
SMILESFC1(F)CC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C10H11BrF2N2/c11-8-2-1-3-9(15-8)14-6-7-4-10(12,13)5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyPXKRHOWYDHYXMU-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.30
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-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine (CID 130775007) is 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine is FC1(F)CC(CNc2cccc(Br)n2)C1.
What is the InChIKey of 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine?
The InChIKey is PXKRHOWYDHYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c11-8-2-1-3-9(15-8)14-6-7-4-10(12,13)5-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine?
6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine has a molecular weight of 277.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine is sourced from PubChem (CID 130775007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).