3-fluoro-4-methoxy-2-propan-2-ylpyridine

C9H12FNO — CID 169237484

IUPAC3-fluoro-4-methoxy-2-propan-2-ylpyridine
SMILESCOc1ccnc(C(C)C)c1F
InChIInChI=1S/C9H12FNO/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,1-3H3
InChIKeyKWYKMYKVTXPETD-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.35
Rot. Bonds2

About 3-fluoro-4-methoxy-2-propan-2-ylpyridine

3-fluoro-4-methoxy-2-propan-2-ylpyridine (PubChem CID 169237484) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-2-propan-2-ylpyridine
PubChem CID169237484
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-fluoro-4-methoxy-2-propan-2-ylpyridine
SMILESCOc1ccnc(C(C)C)c1F
InChIInChI=1S/C9H12FNO/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,1-3H3
InChIKeyKWYKMYKVTXPETD-UHFFFAOYSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-2-propan-2-ylpyridine
CID 130295970
4-methoxy-2-propan-2-ylpyridin-3-amine
CID 134168287
4-bromo-3-fluoro-2-propan-2-ylpyridine
CID 130153363
3-fluoro-4-methoxypyridine-2-sulfonyl chloride
CID 130785648
2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
CID 141080015
3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
2-amino-1-(4-methoxy-3-methyl-2-pyridinyl)propan-1-ol
CID 84666993
2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
CID 139525099
3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine
CID 136571993
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 82792775
3-(difluoromethyl)-4-methoxy-2-methylpyridine
CID 130097309
1,8-di(propan-2-yl)-2,7-naphthyridine
CID 170669033

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-2-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-4-methoxy-2-propan-2-ylpyridine (CID 169237484) is 3-fluoro-4-methoxy-2-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-4-methoxy-2-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-4-methoxy-2-propan-2-ylpyridine is COc1ccnc(C(C)C)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-2-propan-2-ylpyridine?
The InChIKey is KWYKMYKVTXPETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-2-propan-2-ylpyridine?
3-fluoro-4-methoxy-2-propan-2-ylpyridine has a molecular weight of 169.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-2-propan-2-ylpyridine is sourced from PubChem (CID 169237484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).