(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine

C8H10F2N2 — CID 55292186

IUPAC(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(F)nc1F
InChIInChI=1S/C8H10F2N2/c1-2-6(11)5-3-4-7(9)12-8(5)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyQUVMBHXINNLSRN-LURJTMIESA-N
MW172.18 g/mol
LogP1.77
Rot. Bonds2

About (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine

(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine (PubChem CID 55292186) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
PubChem CID55292186
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(F)nc1F
InChIInChI=1S/C8H10F2N2/c1-2-6(11)5-3-4-7(9)12-8(5)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyQUVMBHXINNLSRN-LURJTMIESA-N
XLogP1.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine (CID 55292186) is (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(F)nc1F.
What is the InChIKey of (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine?
The InChIKey is QUVMBHXINNLSRN-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F2N2/c1-2-6(11)5-3-4-7(9)12-8(5)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine?
(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine has a molecular weight of 172.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 55292186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).