[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine

C8H9BrF2N2O — CID 130068701

IUPAC[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1Br
InChIInChI=1S/C8H9BrF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3
InChIKeyJCZSUBDXXRMVIV-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.25
Rot. Bonds3

About [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine

[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine (PubChem CID 130068701) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
PubChem CID130068701
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1Br
InChIInChI=1S/C8H9BrF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3
InChIKeyJCZSUBDXXRMVIV-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The IUPAC name of [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine (CID 130068701) is [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine is COc1c(C(F)F)cc(CN)nc1Br.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The InChIKey is JCZSUBDXXRMVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3.
What are the key properties of [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine has a molecular weight of 267.07 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine is sourced from PubChem (CID 130068701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).