6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine

C7H6ClF3N2 — CID 130104097

IUPAC6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
SMILESNc1cnc(CCl)c(C(F)F)c1F
InChIInChI=1S/C7H6ClF3N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2
InChIKeyAJZQLHWRXPFXNR-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.48
Rot. Bonds2

About 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine

6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine (PubChem CID 130104097) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
PubChem CID130104097
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
SMILESNc1cnc(CCl)c(C(F)F)c1F
InChIInChI=1S/C7H6ClF3N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2
InChIKeyAJZQLHWRXPFXNR-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130101968
5-(difluoromethyl)-4-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104128
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
4-(difluoromethyl)-5,6-difluoropyridin-3-amine
CID 130099519
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106383
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine?
The IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine (CID 130104097) is 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine?
The canonical SMILES for 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine is Nc1cnc(CCl)c(C(F)F)c1F.
What is the InChIKey of 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine?
The InChIKey is AJZQLHWRXPFXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2.
What are the key properties of 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine?
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine has a molecular weight of 210.59 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine is sourced from PubChem (CID 130104097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).