2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine

C9H12FN3 — CID 170486598

IUPAC2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine
SMILESNCCC=Cc1nc(F)ccc1N
InChIInChI=1S/C9H12FN3/c10-9-5-4-7(12)8(13-9)3-1-2-6-11/h1,3-5H,2,6,11-12H2
InChIKeyXUDVGJVIUBVLOR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine

2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine (PubChem CID 170486598) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine
PubChem CID170486598
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine
SMILESNCCC=Cc1nc(F)ccc1N
InChIInChI=1S/C9H12FN3/c10-9-5-4-7(12)8(13-9)3-1-2-6-11/h1,3-5H,2,6,11-12H2
InChIKeyXUDVGJVIUBVLOR-UHFFFAOYSA-N
XLogP1.16
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.16
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

2-(4-aminobut-1-enyl)pyridin-3-amine
CID 170486446
methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
CID 170500518
(E)-3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enoic acid
CID 139392133
6-fluoro-2-(methyliminomethyl)pyridin-3-amine
CID 168895480
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
2-(4-aminobut-1-enyl)-4-chloroaniline
CID 170486646
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
4-(4-aminobut-1-enyl)-3,5-difluoroaniline
CID 170487004
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516
6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine?
The IUPAC name of 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine (CID 170486598) is 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine.
What is the SMILES notation for 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine?
The canonical SMILES for 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine is NCCC=Cc1nc(F)ccc1N.
What is the InChIKey of 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine?
The InChIKey is XUDVGJVIUBVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-9-5-4-7(12)8(13-9)3-1-2-6-11/h1,3-5H,2,6,11-12H2.
What are the key properties of 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine?
2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine has a molecular weight of 181.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine is sourced from PubChem (CID 170486598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).