(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine

C9H10F2N2 — CID 130617510

IUPAC(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine
SMILESN[C@@H](c1nc(F)ccc1F)C1CC1
InChIInChI=1S/C9H10F2N2/c10-6-3-4-7(11)13-9(6)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1
InChIKeyNCMNZLIMSZBALJ-MRVPVSSYSA-N
MW184.19 g/mol
LogP1.77
Rot. Bonds2

About (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine

(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine (PubChem CID 130617510) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine
PubChem CID130617510
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine
SMILESN[C@@H](c1nc(F)ccc1F)C1CC1
InChIInChI=1S/C9H10F2N2/c10-6-3-4-7(11)13-9(6)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1
InChIKeyNCMNZLIMSZBALJ-MRVPVSSYSA-N
XLogP1.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
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 (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine?
The IUPAC name of (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine (CID 130617510) is (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine?
The canonical SMILES for (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine is N[C@@H](c1nc(F)ccc1F)C1CC1.
What is the InChIKey of (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine?
The InChIKey is NCMNZLIMSZBALJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F2N2/c10-6-3-4-7(11)13-9(6)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1.
What are the key properties of (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine?
(R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine has a molecular weight of 184.19 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 (R)-cyclopropyl-(3,6-difluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 130617510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).