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

C8H9F3N2O — CID 130080557

IUPAC[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
SMILESCOc1nc(CN)cc(C(F)F)c1F
InChIInChI=1S/C8H9F3N2O/c1-14-8-6(9)5(7(10)11)2-4(3-12)13-8/h2,7H,3,12H2,1H3
InChIKeyHERSWVQRPGSDIH-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.63
Rot. Bonds3

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

[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine (PubChem CID 130080557) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
PubChem CID130080557
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
SMILESCOc1nc(CN)cc(C(F)F)c1F
InChIInChI=1S/C8H9F3N2O/c1-14-8-6(9)5(7(10)11)2-4(3-12)13-8/h2,7H,3,12H2,1H3
InChIKeyHERSWVQRPGSDIH-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanol
CID 118846106
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
CID 118831411
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine (CID 130080557) is [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine is COc1nc(CN)cc(C(F)F)c1F.
What is the InChIKey of [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine?
The InChIKey is HERSWVQRPGSDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-8-6(9)5(7(10)11)2-4(3-12)13-8/h2,7H,3,12H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine?
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine is sourced from PubChem (CID 130080557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).