(5-fluoro-3-pyridinyl)methanamine;dihydrochloride

C6H9Cl2FN2 — CID 119081474

IUPAC(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cncc(F)c1
InChIInChI=1S/C6H7FN2.2ClH/c7-6-1-5(2-8)3-9-4-6;;/h1,3-4H,2,8H2;2*1H
InChIKeyTXOAPLQELPXLLK-UHFFFAOYSA-N
MW199.06 g/mol
LogP1.52
Rot. Bonds1

About (5-fluoro-3-pyridinyl)methanamine;dihydrochloride

(5-fluoro-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 119081474) has the molecular formula C6H9Cl2FN2 and a molecular weight of 199.06 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
PubChem CID119081474
Molecular FormulaC6H9Cl2FN2
Molecular Weight199.06 g/mol
Exact Mass198.01
IUPAC Name(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cncc(F)c1
InChIInChI=1S/C6H7FN2.2ClH/c7-6-1-5(2-8)3-9-4-6;;/h1,3-4H,2,8H2;2*1H
InChIKeyTXOAPLQELPXLLK-UHFFFAOYSA-N
XLogP1.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (5-fluoro-3-pyridinyl)methanamine;dihydrochloride (CID 119081474) is (5-fluoro-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (5-fluoro-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (5-fluoro-3-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is TXOAPLQELPXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2.2ClH/c7-6-1-5(2-8)3-9-4-6;;/h1,3-4H,2,8H2;2*1H.
What are the key properties of (5-fluoro-3-pyridinyl)methanamine;dihydrochloride?
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 199.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 119081474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).