(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine

C9H12F2N2 — CID 130623639

IUPAC(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cnc(F)c(F)c1
InChIInChI=1S/C9H12F2N2/c1-5(2)8(12)6-3-7(10)9(11)13-4-6/h3-5,8H,12H2,1-2H3/t8-/m1/s1
InChIKeyLCPPBCYMEFMREY-MRVPVSSYSA-N
MW186.20 g/mol
LogP2.02
Rot. Bonds2

About (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine

(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 130623639) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID130623639
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cnc(F)c(F)c1
InChIInChI=1S/C9H12F2N2/c1-5(2)8(12)6-3-7(10)9(11)13-4-6/h3-5,8H,12H2,1-2H3/t8-/m1/s1
InChIKeyLCPPBCYMEFMREY-MRVPVSSYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130714020
(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130641095
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
CID 55270474
(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55276202
5-(1-aminoethyl)-2-fluoropyridin-3-amine
CID 55293983
5-[(1R)-1-aminoethyl]-2-fluoropyridin-3-amine
CID 55263086
(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
CID 130632520
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
CID 90451790
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
5-(1-amino-2-methylpropyl)-2-fluoroaniline
CID 55283419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine (CID 130623639) is (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine is CC(C)[C@@H](N)c1cnc(F)c(F)c1.
What is the InChIKey of (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is LCPPBCYMEFMREY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-5(2)8(12)6-3-7(10)9(11)13-4-6/h3-5,8H,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine?
(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 186.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130623639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).