(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide

C14H16F2N4O — CID 160901268

IUPAC(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)cn1.NCc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O.C6H7FN2/c1-6(12)10-5-8-3-2-7(9)4-11-8;7-5-1-2-6(3-8)9-4-5/h2-4H,5H2,1H3,(H,10,12);1-2,4H,3,8H2
InChIKeySPNOIEAYUBOXGU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.54
Rot. Bonds3

About (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide

(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide (PubChem CID 160901268) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide
PubChem CID160901268
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)cn1.NCc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O.C6H7FN2/c1-6(12)10-5-8-3-2-7(9)4-11-8;7-5-1-2-6(3-8)9-4-5/h2-4H,5H2,1H3,(H,10,12);1-2,4H,3,8H2
InChIKeySPNOIEAYUBOXGU-UHFFFAOYSA-N
XLogP1.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide?
The IUPAC name of (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide (CID 160901268) is (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide?
The canonical SMILES for (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide is CC(=O)NCc1ccc(F)cn1.NCc1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide?
The InChIKey is SPNOIEAYUBOXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O.C6H7FN2/c1-6(12)10-5-8-3-2-7(9)4-11-8;7-5-1-2-6(3-8)9-4-5/h2-4H,5H2,1H3,(H,10,12);1-2,4H,3,8H2.
What are the key properties of (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide?
(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 160901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).