5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine

C9H12FN3 — CID 162439734

IUPAC5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1cc(N2CCCC2)ncc1F
InChIInChI=1S/C9H12FN3/c10-7-6-12-9(5-8(7)11)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyXXPPKDKCBDUDOX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.40
Rot. Bonds1

About 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine

5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine (PubChem CID 162439734) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine
PubChem CID162439734
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1cc(N2CCCC2)ncc1F
InChIInChI=1S/C9H12FN3/c10-7-6-12-9(5-8(7)11)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyXXPPKDKCBDUDOX-UHFFFAOYSA-N
XLogP1.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 173133421
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
ethane;5-piperidin-1-ylpyrazin-2-amine
CID 143786995
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
CID 129078090
5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
CID 83266554
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
(5-bromo-2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 130572191
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine?
The IUPAC name of 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine (CID 162439734) is 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine.
What is the SMILES notation for 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine?
The canonical SMILES for 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine is Nc1cc(N2CCCC2)ncc1F.
What is the InChIKey of 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine?
The InChIKey is XXPPKDKCBDUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-7-6-12-9(5-8(7)11)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine?
5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine is sourced from PubChem (CID 162439734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).