[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine

C8H9BrF2N2O — CID 130068718

IUPAC[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
SMILESCOc1ncc(CN)c(C(F)F)c1Br
InChIInChI=1S/C8H9BrF2N2O/c1-14-8-6(9)5(7(10)11)4(2-12)3-13-8/h3,7H,2,12H2,1H3
InChIKeyZCUDUSGZXJBQBG-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.25
Rot. Bonds3

About [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine

[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine (PubChem CID 130068718) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
PubChem CID130068718
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
SMILESCOc1ncc(CN)c(C(F)F)c1Br
InChIInChI=1S/C8H9BrF2N2O/c1-14-8-6(9)5(7(10)11)4(2-12)3-13-8/h3,7H,2,12H2,1H3
InChIKeyZCUDUSGZXJBQBG-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

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Related Compounds

[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
methyl 5-(aminomethyl)-3-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134671855
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine (CID 130068718) is [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine is COc1ncc(CN)c(C(F)F)c1Br.
What is the InChIKey of [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The InChIKey is ZCUDUSGZXJBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c1-14-8-6(9)5(7(10)11)4(2-12)3-13-8/h3,7H,2,12H2,1H3.
What are the key properties of [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
[5-bromo-4-(difluoromethyl)-6-methoxy-3-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 [5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 130068718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).