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

C8H9F3N2 — CID 130080910

IUPAC[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(C(F)F)c(CN)c(F)n1
InChIInChI=1S/C8H9F3N2/c1-4-2-5(7(9)10)6(3-12)8(11)13-4/h2,7H,3,12H2,1H3
InChIKeyQEGWPYKBEGRMEZ-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.93
Rot. Bonds2

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

[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine (PubChem CID 130080910) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
PubChem CID130080910
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(C(F)F)c(CN)c(F)n1
InChIInChI=1S/C8H9F3N2/c1-4-2-5(7(9)10)6(3-12)8(11)13-4/h2,7H,3,12H2,1H3
InChIKeyQEGWPYKBEGRMEZ-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.93
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-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]acetate
CID 133104810
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
CID 130085965
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
CID 118807137
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
CID 130079991
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine (CID 130080910) is [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine is Cc1cc(C(F)F)c(CN)c(F)n1.
What is the InChIKey of [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine?
The InChIKey is QEGWPYKBEGRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-2-5(7(9)10)6(3-12)8(11)13-4/h2,7H,3,12H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine?
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine has a molecular weight of 190.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 130080910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).