2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine

C8H9ClF2N2O — CID 130105970

IUPAC2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
SMILESCOc1cc(C(F)F)nc(CCl)c1N
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-2-4(8(10)11)13-5(3-9)7(6)12/h2,8H,3,12H2,1H3
InChIKeyAPWLLIOQUNCUPS-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.35
Rot. Bonds3

About 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine

2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine (PubChem CID 130105970) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
PubChem CID130105970
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
SMILESCOc1cc(C(F)F)nc(CCl)c1N
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-2-4(8(10)11)13-5(3-9)7(6)12/h2,8H,3,12H2,1H3
InChIKeyAPWLLIOQUNCUPS-UHFFFAOYSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4-methoxy-2-methylpyridin-3-amine
CID 130105843
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
6-(difluoromethyl)-4-methoxy-3-methylpyridin-2-amine
CID 119005305
2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
CID 118843944
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
ethyl 2-[2-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671836
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine (CID 130105970) is 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine is COc1cc(C(F)F)nc(CCl)c1N.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine?
The InChIKey is APWLLIOQUNCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-6-2-4(8(10)11)13-5(3-9)7(6)12/h2,8H,3,12H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine?
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine has a molecular weight of 222.62 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine is sourced from PubChem (CID 130105970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).