5-(1-aminobutyl)-2-fluoropyridin-3-amine

C9H14FN3 — CID 55294196

IUPAC5-(1-aminobutyl)-2-fluoropyridin-3-amine
SMILESCCCC(N)c1cnc(F)c(N)c1
InChIInChI=1S/C9H14FN3/c1-2-3-7(11)6-4-8(12)9(10)13-5-6/h4-5,7H,2-3,11-12H2,1H3
InChIKeyGLAQOCFUVIBSGO-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds3

About 5-(1-aminobutyl)-2-fluoropyridin-3-amine

5-(1-aminobutyl)-2-fluoropyridin-3-amine (PubChem CID 55294196) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(1-aminobutyl)-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-(1-aminobutyl)-2-fluoropyridin-3-amine
PubChem CID55294196
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-(1-aminobutyl)-2-fluoropyridin-3-amine
SMILESCCCC(N)c1cnc(F)c(N)c1
InChIInChI=1S/C9H14FN3/c1-2-3-7(11)6-4-8(12)9(10)13-5-6/h4-5,7H,2-3,11-12H2,1H3
InChIKeyGLAQOCFUVIBSGO-UHFFFAOYSA-N
XLogP1.60
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminoethyl)-2-fluoropyridin-3-amine
CID 55293983
5-[(1R)-1-aminoethyl]-2-fluoropyridin-3-amine
CID 55263086
2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde
CID 123310619
(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine
CID 130612069
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
5-[(1R)-1-aminobutyl]-2-bromoaniline
CID 131106140
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-2-fluoropyridin-3-amine?
The IUPAC name of 5-(1-aminobutyl)-2-fluoropyridin-3-amine (CID 55294196) is 5-(1-aminobutyl)-2-fluoropyridin-3-amine.
What is the SMILES notation for 5-(1-aminobutyl)-2-fluoropyridin-3-amine?
The canonical SMILES for 5-(1-aminobutyl)-2-fluoropyridin-3-amine is CCCC(N)c1cnc(F)c(N)c1.
What is the InChIKey of 5-(1-aminobutyl)-2-fluoropyridin-3-amine?
The InChIKey is GLAQOCFUVIBSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-2-3-7(11)6-4-8(12)9(10)13-5-6/h4-5,7H,2-3,11-12H2,1H3.
What are the key properties of 5-(1-aminobutyl)-2-fluoropyridin-3-amine?
5-(1-aminobutyl)-2-fluoropyridin-3-amine has a molecular weight of 183.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-2-fluoropyridin-3-amine is sourced from PubChem (CID 55294196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).