6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine

C9H12FN3 — CID 121201657

IUPAC6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CC(CF)C2)nc1
InChIInChI=1S/C9H12FN3/c10-3-7-5-13(6-7)9-2-1-8(11)4-12-9/h1-2,4,7H,3,5-6,11H2
InChIKeyJCVWCKXDBYPKAX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.07
Rot. Bonds2

About 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine

6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine (PubChem CID 121201657) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine
PubChem CID121201657
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CC(CF)C2)nc1
InChIInChI=1S/C9H12FN3/c10-3-7-5-13(6-7)9-2-1-8(11)4-12-9/h1-2,4,7H,3,5-6,11H2
InChIKeyJCVWCKXDBYPKAX-UHFFFAOYSA-N
XLogP1.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine (CID 121201657) is 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine is Nc1ccc(N2CC(CF)C2)nc1.
What is the InChIKey of 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine?
The InChIKey is JCVWCKXDBYPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-3-7-5-13(6-7)9-2-1-8(11)4-12-9/h1-2,4,7H,3,5-6,11H2.
What are the key properties of 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine?
6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(fluoromethyl)azetidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 121201657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).