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

C8H9BrF2N2 — CID 130069153

IUPAC[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1ncc(CN)c(Br)c1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyLVLDBQQDPOZIJJ-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.55
Rot. Bonds2

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

[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine (PubChem CID 130069153) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
PubChem CID130069153
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1ncc(CN)c(Br)c1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyLVLDBQQDPOZIJJ-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

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Related Compounds

[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
methyl 5-(aminomethyl)-3-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134671855
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109403
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine (CID 130069153) is [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine is Cc1ncc(CN)c(Br)c1C(F)F.
What is the InChIKey of [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is LVLDBQQDPOZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,2,12H2,1H3.
What are the key properties of [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine?
[4-bromo-5-(difluoromethyl)-6-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 [4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 130069153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).