1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol

C11H14F3N3O — CID 112737651

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2
InChIKeyFJUZFGHVYKRQDW-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.04
Rot. Bonds2

About 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol

1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737651) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737651
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2
InChIKeyFJUZFGHVYKRQDW-UHFFFAOYSA-N
XLogP1.04
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol
CID 56730048
2-[(3R)-1-[5-amino-6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propan-2-ol
CID 168289317
3-({4-[(3-Methylpyridin-2-YL)methyl]piperazin-1-YL}methyl)pyrrolidin-3-OL
CID 70788590
3-[(Dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]-3-pyrrolidinol
CID 70733403
(3S)-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129371027
(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol
CID 164634493
3-[(3S)-3-ethyl-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 164642847
[(3S)-1-[2-(difluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanol
CID 177663847
1-(3-Fluoro-4-pyridinyl)pyrrolidin-3-ol
CID 18357081
(S)-2-amino-3-[ethyl-(6-trifluoromethyl-pyridin-3-yl)-amino]-propan-1-ol
CID 67271061
2-Amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol
CID 67271063
2-[(3,3-Difluoropyrrolidin-1-yl)methyl]pyridin-4-amine
CID 68627667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737651) is 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol is NCc1cc(N2CCC(O)(C(F)(F)F)C2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is FJUZFGHVYKRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10(18)2-4-17(7-10)9-1-3-16-8(5-9)6-15/h1,3,5,18H,2,4,6-7,15H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).