4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine

C7H7F3N2 — CID 130103914

IUPAC4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine
SMILESCc1c(C(F)F)cc(F)nc1N
InChIInChI=1S/C7H7F3N2/c1-3-4(6(9)10)2-5(8)12-7(3)11/h2,6H,1H3,(H2,11,12)
InChIKeyIXTYYAHRXLHVTR-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.05
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine

4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine (PubChem CID 130103914) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine
PubChem CID130103914
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine
SMILESCc1c(C(F)F)cc(F)nc1N
InChIInChI=1S/C7H7F3N2/c1-3-4(6(9)10)2-5(8)12-7(3)11/h2,6H,1H3,(H2,11,12)
InChIKeyIXTYYAHRXLHVTR-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.05
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

5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 119019045
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324
2-amino-5-(difluoromethyl)-6-methylpyridin-3-ol
CID 118997422
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
CID 130099672
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
5-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 118999361
5-(difluoromethyl)-2-fluoro-4-methylpyridin-3-amine
CID 130103932
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
6-(difluoromethyl)-4-methoxy-3-methylpyridin-2-amine
CID 119005305

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine (CID 130103914) is 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine is Cc1c(C(F)F)cc(F)nc1N.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine?
The InChIKey is IXTYYAHRXLHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c1-3-4(6(9)10)2-5(8)12-7(3)11/h2,6H,1H3,(H2,11,12).
What are the key properties of 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine?
4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine has a molecular weight of 176.14 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine is sourced from PubChem (CID 130103914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).