3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine

C8H9ClF2N2O — CID 119023651

IUPAC3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
SMILESCOc1nc(N)c(CCl)cc1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-5(6(10)11)2-4(3-9)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13)
InChIKeyNNAVOFZELMSYIS-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.35
Rot. Bonds3

About 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine

3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine (PubChem CID 119023651) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
PubChem CID119023651
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
SMILESCOc1nc(N)c(CCl)cc1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-5(6(10)11)2-4(3-9)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13)
InChIKeyNNAVOFZELMSYIS-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

2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118809943
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine (CID 119023651) is 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine is COc1nc(N)c(CCl)cc1C(F)F.
What is the InChIKey of 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine?
The InChIKey is NNAVOFZELMSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-8-5(6(10)11)2-4(3-9)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13).
What are the key properties of 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine?
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-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 3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine is sourced from PubChem (CID 119023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).