3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine

C12H12FN3O — CID 55111614

IUPAC3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1ncccc1CNc1ncccc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-9(4-2-7-15-12)8-16-11-10(13)5-3-6-14-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGWNKQDMWNDHIBC-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.24
Rot. Bonds4

About 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine

3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 55111614) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID55111614
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1ncccc1CNc1ncccc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-9(4-2-7-15-12)8-16-11-10(13)5-3-6-14-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGWNKQDMWNDHIBC-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine (CID 55111614) is 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine is COc1ncccc1CNc1ncccc1F.
What is the InChIKey of 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is GWNKQDMWNDHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-12-9(4-2-7-15-12)8-16-11-10(13)5-3-6-14-11/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 55111614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).