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

C8H9F3N2O — CID 118836880

IUPAC[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1cc(C(F)F)c(CN)nc1F
InChIInChI=1S/C8H9F3N2O/c1-14-6-2-4(7(9)10)5(3-12)13-8(6)11/h2,7H,3,12H2,1H3
InChIKeyIACAZHPAFQUGCC-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.63
Rot. Bonds3

About [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine

[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine (PubChem CID 118836880) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
PubChem CID118836880
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1cc(C(F)F)c(CN)nc1F
InChIInChI=1S/C8H9F3N2O/c1-14-6-2-4(7(9)10)5(3-12)13-8(6)11/h2,7H,3,12H2,1H3
InChIKeyIACAZHPAFQUGCC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
CID 118831411
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine (CID 118836880) is [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine is COc1cc(C(F)F)c(CN)nc1F.
What is the InChIKey of [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine?
The InChIKey is IACAZHPAFQUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-6-2-4(7(9)10)5(3-12)13-8(6)11/h2,7H,3,12H2,1H3.
What are the key properties of [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine?
[3-(difluoromethyl)-6-fluoro-5-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 [3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine is sourced from PubChem (CID 118836880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).