3-fluoro-2-(propoxymethyl)pyridine

C9H12FNO — CID 131973520

IUPAC3-fluoro-2-(propoxymethyl)pyridine
SMILESCCCOCc1ncccc1F
InChIInChI=1S/C9H12FNO/c1-2-6-12-7-9-8(10)4-3-5-11-9/h3-5H,2,6-7H2,1H3
InChIKeyNOMHIMQFJRZZMN-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.15
Rot. Bonds4

About 3-fluoro-2-(propoxymethyl)pyridine

3-fluoro-2-(propoxymethyl)pyridine (PubChem CID 131973520) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-fluoro-2-(propoxymethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(propoxymethyl)pyridine
PubChem CID131973520
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-fluoro-2-(propoxymethyl)pyridine
SMILESCCCOCc1ncccc1F
InChIInChI=1S/C9H12FNO/c1-2-6-12-7-9-8(10)4-3-5-11-9/h3-5H,2,6-7H2,1H3
InChIKeyNOMHIMQFJRZZMN-UHFFFAOYSA-N
XLogP2.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-2-(propoxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-(phenoxymethyl)pyridine
CID 123532650
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270
2-(2-chloro-3-methoxypropyl)-3-fluoropyridine
CID 63205465
5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline
CID 118192487
2-(ethoxymethyl)pyridin-3-amine
CID 18772079
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
3-fluoro-2-methylpyridine;propane
CID 171848252
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
1-(3-fluoro-2-pyridinyl)-N-propylpentan-2-amine
CID 63198137
2-(phenoxymethyl)-3-propoxypyridine
CID 174392620
1-(3-fluoro-2-pyridinyl)-N-methylpropan-2-amine
CID 63199828

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(propoxymethyl)pyridine?
The IUPAC name of 3-fluoro-2-(propoxymethyl)pyridine (CID 131973520) is 3-fluoro-2-(propoxymethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(propoxymethyl)pyridine?
The canonical SMILES for 3-fluoro-2-(propoxymethyl)pyridine is CCCOCc1ncccc1F.
What is the InChIKey of 3-fluoro-2-(propoxymethyl)pyridine?
The InChIKey is NOMHIMQFJRZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-6-12-7-9-8(10)4-3-5-11-9/h3-5H,2,6-7H2,1H3.
What are the key properties of 3-fluoro-2-(propoxymethyl)pyridine?
3-fluoro-2-(propoxymethyl)pyridine has a molecular weight of 169.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(propoxymethyl)pyridine is sourced from PubChem (CID 131973520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).