[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine

C8H9BrF2N2 — CID 130069170

IUPAC[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(Br)cc(C(F)F)c1CN
InChIInChI=1S/C8H9BrF2N2/c1-4-6(3-12)5(8(10)11)2-7(9)13-4/h2,8H,3,12H2,1H3
InChIKeyFFTUPFGLRCCMEL-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.55
Rot. Bonds2

About [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine

[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine (PubChem CID 130069170) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
PubChem CID130069170
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(Br)cc(C(F)F)c1CN
InChIInChI=1S/C8H9BrF2N2/c1-4-6(3-12)5(8(10)11)2-7(9)13-4/h2,8H,3,12H2,1H3
InChIKeyFFTUPFGLRCCMEL-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.55
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-iodo-2-methyl-3-pyridinyl]methanamine
CID 130085965
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
ethyl 2-[6-bromo-3-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134676329

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine (CID 130069170) is [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine is Cc1nc(Br)cc(C(F)F)c1CN.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine?
The InChIKey is FFTUPFGLRCCMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-6(3-12)5(8(10)11)2-7(9)13-4/h2,8H,3,12H2,1H3.
What are the key properties of [6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine?
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine has a molecular weight of 251.07 g/mol, XLogP of 2.55, 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-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 130069170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).