5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine

C6H4ClF3N2 — CID 130102453

IUPAC5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1cc(Cl)c(C(F)F)nc1F
InChIInChI=1S/C6H4ClF3N2/c7-2-1-3(11)6(10)12-4(2)5(8)9/h1,5H,11H2
InChIKeyYMYILVCIYLNBQE-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.39
Rot. Bonds1

About 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine

5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine (PubChem CID 130102453) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
PubChem CID130102453
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1cc(Cl)c(C(F)F)nc1F
InChIInChI=1S/C6H4ClF3N2/c7-2-1-3(11)6(10)12-4(2)5(8)9/h1,5H,11H2
InChIKeyYMYILVCIYLNBQE-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.39
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

2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
3-bromo-5-chloro-6-(difluoromethyl)pyridin-2-amine
CID 119012391
5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130071572
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
2-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103068
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine?
The IUPAC name of 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine (CID 130102453) is 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine is Nc1cc(Cl)c(C(F)F)nc1F.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine?
The InChIKey is YMYILVCIYLNBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c7-2-1-3(11)6(10)12-4(2)5(8)9/h1,5H,11H2.
What are the key properties of 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine?
5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine has a molecular weight of 196.56 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine is sourced from PubChem (CID 130102453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).