(2-fluoro-4-pyridinyl)methanediamine

C6H8FN3 — CID 146521385

IUPAC(2-fluoro-4-pyridinyl)methanediamine
SMILESNC(N)c1ccnc(F)c1
InChIInChI=1S/C6H8FN3/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H,8-9H2
InChIKeyROCDMKAWDVYFKP-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.14
Rot. Bonds1

About (2-fluoro-4-pyridinyl)methanediamine

(2-fluoro-4-pyridinyl)methanediamine (PubChem CID 146521385) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)methanediamine.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)methanediamine
PubChem CID146521385
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name(2-fluoro-4-pyridinyl)methanediamine
SMILESNC(N)c1ccnc(F)c1
InChIInChI=1S/C6H8FN3/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H,8-9H2
InChIKeyROCDMKAWDVYFKP-UHFFFAOYSA-N
XLogP0.14
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)methanediamine?
The IUPAC name of (2-fluoro-4-pyridinyl)methanediamine (CID 146521385) is (2-fluoro-4-pyridinyl)methanediamine.
What is the SMILES notation for (2-fluoro-4-pyridinyl)methanediamine?
The canonical SMILES for (2-fluoro-4-pyridinyl)methanediamine is NC(N)c1ccnc(F)c1.
What is the InChIKey of (2-fluoro-4-pyridinyl)methanediamine?
The InChIKey is ROCDMKAWDVYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H,8-9H2.
What are the key properties of (2-fluoro-4-pyridinyl)methanediamine?
(2-fluoro-4-pyridinyl)methanediamine has a molecular weight of 141.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)methanediamine is sourced from PubChem (CID 146521385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).