[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine

C9H12F2N2 — CID 172551853

IUPAC[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(CC(F)CF)c1
InChIInChI=1S/C9H12F2N2/c10-5-8(11)4-9-3-7(6-12)1-2-13-9/h1-3,8H,4-6,12H2
InChIKeyOEEYFPRGPLQMSF-UHFFFAOYSA-N
MW186.20 g/mol
LogP1.39
Rot. Bonds4

About [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine

[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine (PubChem CID 172551853) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine
PubChem CID172551853
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(CC(F)CF)c1
InChIInChI=1S/C9H12F2N2/c10-5-8(11)4-9-3-7(6-12)1-2-13-9/h1-3,8H,4-6,12H2
InChIKeyOEEYFPRGPLQMSF-UHFFFAOYSA-N
XLogP1.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine (CID 172551853) is [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine is NCc1ccnc(CC(F)CF)c1.
What is the InChIKey of [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine?
The InChIKey is OEEYFPRGPLQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-5-8(11)4-9-3-7(6-12)1-2-13-9/h1-3,8H,4-6,12H2.
What are the key properties of [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine?
[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine has a molecular weight of 186.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluoropropyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 172551853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).