(3-bromo-6-fluoro-2-pyridinyl)methanamine

C6H6BrFN2 — CID 104546703

IUPAC(3-bromo-6-fluoro-2-pyridinyl)methanamine
SMILESNCc1nc(F)ccc1Br
InChIInChI=1S/C6H6BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2
InChIKeyAEIDRSJQJTZHAX-UHFFFAOYSA-N
MW205.03 g/mol
LogP1.44
Rot. Bonds1

About (3-bromo-6-fluoro-2-pyridinyl)methanamine

(3-bromo-6-fluoro-2-pyridinyl)methanamine (PubChem CID 104546703) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is (3-bromo-6-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-6-fluoro-2-pyridinyl)methanamine
PubChem CID104546703
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name(3-bromo-6-fluoro-2-pyridinyl)methanamine
SMILESNCc1nc(F)ccc1Br
InChIInChI=1S/C6H6BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2
InChIKeyAEIDRSJQJTZHAX-UHFFFAOYSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 51.44
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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Related Compounds

(6-bromo-3-fluoro-2-pyridinyl)methanamine
CID 112694257
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
(6-bromo-5-fluoroisoquinolin-1-yl)methanamine
CID 125426567
(3-fluoro-6-iodo-2-pyridinyl)methanamine
CID 130926038
3-bromo-6-fluoropyridine-2-carbonitrile
CID 84669802
(3-fluoro-6-methyl-2-pyridinyl)methanamine;hydrochloride
CID 53395629
(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
7-bromo-2-fluoroquinolin-8-ol
CID 141280173
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
(3-bromo-6-ethyl-2-pyridinyl)methanol
CID 155580120

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (3-bromo-6-fluoro-2-pyridinyl)methanamine (CID 104546703) is (3-bromo-6-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-6-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-6-fluoro-2-pyridinyl)methanamine is NCc1nc(F)ccc1Br.
What is the InChIKey of (3-bromo-6-fluoro-2-pyridinyl)methanamine?
The InChIKey is AEIDRSJQJTZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2.
What are the key properties of (3-bromo-6-fluoro-2-pyridinyl)methanamine?
(3-bromo-6-fluoro-2-pyridinyl)methanamine has a molecular weight of 205.03 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 104546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).