[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine

C7H7BrF2N2 — CID 118831489

IUPAC[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C7H7BrF2N2/c8-6-2-4(7(9)10)1-5(3-11)12-6/h1-2,7H,3,11H2
InChIKeyTZXBWIHYIXHSTL-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.24
Rot. Bonds2

About [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine

[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine (PubChem CID 118831489) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
PubChem CID118831489
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C7H7BrF2N2/c8-6-2-4(7(9)10)1-5(3-11)12-6/h1-2,7H,3,11H2
InChIKeyTZXBWIHYIXHSTL-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.24
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

[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine
CID 162523367
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
[3,5-bis(difluoromethyl)phenyl]methanamine
CID 139779681
2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine
CID 130095542
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine (CID 118831489) is [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine is NCc1cc(C(F)F)cc(Br)n1.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is TZXBWIHYIXHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c8-6-2-4(7(9)10)1-5(3-11)12-6/h1-2,7H,3,11H2.
What are the key properties of [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 237.05 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 118831489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).