4-(difluoromethyl)-5,6-difluoropyridin-3-amine

C6H4F4N2 — CID 130099519

IUPAC4-(difluoromethyl)-5,6-difluoropyridin-3-amine
SMILESNc1cnc(F)c(F)c1C(F)F
InChIInChI=1S/C6H4F4N2/c7-4-3(5(8)9)2(11)1-12-6(4)10/h1,5H,11H2
InChIKeyINBOBFGRWQRLRJ-UHFFFAOYSA-N
MW180.10 g/mol
LogP1.88
Rot. Bonds1

About 4-(difluoromethyl)-5,6-difluoropyridin-3-amine

4-(difluoromethyl)-5,6-difluoropyridin-3-amine (PubChem CID 130099519) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-difluoropyridin-3-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-difluoropyridin-3-amine
PubChem CID130099519
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name4-(difluoromethyl)-5,6-difluoropyridin-3-amine
SMILESNc1cnc(F)c(F)c1C(F)F
InChIInChI=1S/C6H4F4N2/c7-4-3(5(8)9)2(11)1-12-6(4)10/h1,5H,11H2
InChIKeyINBOBFGRWQRLRJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 51.88
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-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
5-(difluoromethyl)-4-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104128
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
5-(difluoromethyl)-4,6-difluoropyridin-3-ol
CID 130099609
4-(difluoromethyl)quinolin-3-amine
CID 178080175
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-difluoropyridin-3-amine?
The IUPAC name of 4-(difluoromethyl)-5,6-difluoropyridin-3-amine (CID 130099519) is 4-(difluoromethyl)-5,6-difluoropyridin-3-amine.
What is the SMILES notation for 4-(difluoromethyl)-5,6-difluoropyridin-3-amine?
The canonical SMILES for 4-(difluoromethyl)-5,6-difluoropyridin-3-amine is Nc1cnc(F)c(F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5,6-difluoropyridin-3-amine?
The InChIKey is INBOBFGRWQRLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2/c7-4-3(5(8)9)2(11)1-12-6(4)10/h1,5H,11H2.
What are the key properties of 4-(difluoromethyl)-5,6-difluoropyridin-3-amine?
4-(difluoromethyl)-5,6-difluoropyridin-3-amine has a molecular weight of 180.10 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-difluoropyridin-3-amine is sourced from PubChem (CID 130099519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).