3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

C8H8ClF4N3 — CID 106289897

IUPAC3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESNc1cnc(NCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF4N3/c9-5-1-4(14)2-15-6(5)16-3-8(12,13)7(10)11/h1-2,7H,3,14H2,(H,15,16)
InChIKeyKVMOLCGGZAELEA-UHFFFAOYSA-N
MW257.62 g/mol
LogP2.63
Rot. Bonds4

About 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (PubChem CID 106289897) has the molecular formula C8H8ClF4N3 and a molecular weight of 257.62 g/mol. Its IUPAC name is 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
PubChem CID106289897
Molecular FormulaC8H8ClF4N3
Molecular Weight257.62 g/mol
Exact Mass257.03
IUPAC Name3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESNc1cnc(NCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF4N3/c9-5-1-4(14)2-15-6(5)16-3-8(12,13)7(10)11/h1-2,7H,3,14H2,(H,15,16)
InChIKeyKVMOLCGGZAELEA-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293428
4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
CID 106289832
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
3-chloro-2-N-methylpyridine-2,5-diamine
CID 23112230
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106295502
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
CID 114046232
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
CID 114046187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (CID 106289897) is 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is Nc1cnc(NCC(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The InChIKey is KVMOLCGGZAELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF4N3/c9-5-1-4(14)2-15-6(5)16-3-8(12,13)7(10)11/h1-2,7H,3,14H2,(H,15,16).
What are the key properties of 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine has a molecular weight of 257.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is sourced from PubChem (CID 106289897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).