(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol

C10H14FN3O — CID 165112499

IUPAC(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol
SMILESNCc1ccnc(N2C[C@@H](O)[C@H](F)C2)c1
InChIInChI=1S/C10H14FN3O/c11-8-5-14(6-9(8)15)10-3-7(4-12)1-2-13-10/h1-3,8-9,15H,4-6,12H2/t8-,9-/m1/s1
InChIKeyXCILKXJLQBOLAB-RKDXNWHRSA-N
MW211.24 g/mol
LogP0.06
Rot. Bonds2

About (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol

(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol (PubChem CID 165112499) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol
PubChem CID165112499
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol
SMILESNCc1ccnc(N2C[C@@H](O)[C@H](F)C2)c1
InChIInChI=1S/C10H14FN3O/c11-8-5-14(6-9(8)15)10-3-7(4-12)1-2-13-10/h1-3,8-9,15H,4-6,12H2/t8-,9-/m1/s1
InChIKeyXCILKXJLQBOLAB-RKDXNWHRSA-N
XLogP0.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol (CID 165112499) is (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol is NCc1ccnc(N2C[C@@H](O)[C@H](F)C2)c1.
What is the InChIKey of (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol?
The InChIKey is XCILKXJLQBOLAB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-5-14(6-9(8)15)10-3-7(4-12)1-2-13-10/h1-3,8-9,15H,4-6,12H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 165112499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).