(3-fluoro-4-pyridinyl)methanamine

C6H7FN2 — CID 45480462

IUPAC(3-fluoro-4-pyridinyl)methanamine
SMILESNCc1ccncc1F
InChIInChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
InChIKeyYPJQSIDUEOBFTE-UHFFFAOYSA-N
MW126.13 g/mol
LogP0.68
Rot. Bonds1

About (3-fluoro-4-pyridinyl)methanamine

(3-fluoro-4-pyridinyl)methanamine (PubChem CID 45480462) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)methanamine
PubChem CID45480462
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name(3-fluoro-4-pyridinyl)methanamine
SMILESNCc1ccncc1F
InChIInChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
InChIKeyYPJQSIDUEOBFTE-UHFFFAOYSA-N
XLogP0.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)methanamine (CID 45480462) is (3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)methanamine is NCc1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)methanamine?
The InChIKey is YPJQSIDUEOBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2.
What are the key properties of (3-fluoro-4-pyridinyl)methanamine?
(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 126.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 45480462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).