3-fluoro-4-(fluoromethyl)pyridine

C6H5F2N — CID 105427398

IUPAC3-fluoro-4-(fluoromethyl)pyridine
SMILESFCc1ccncc1F
InChIInChI=1S/C6H5F2N/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2
InChIKeyMQTNZXQGYZTLIB-UHFFFAOYSA-N
MW129.11 g/mol
LogP1.69
Rot. Bonds1

About 3-fluoro-4-(fluoromethyl)pyridine

3-fluoro-4-(fluoromethyl)pyridine (PubChem CID 105427398) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-fluoro-4-(fluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(fluoromethyl)pyridine
PubChem CID105427398
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-fluoro-4-(fluoromethyl)pyridine
SMILESFCc1ccncc1F
InChIInChI=1S/C6H5F2N/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2
InChIKeyMQTNZXQGYZTLIB-UHFFFAOYSA-N
XLogP1.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
2-(3-fluoro-4-pyridinyl)acetaldehyde
CID 87110960
4-(3-bromopropyl)-3-fluoropyridine
CID 104739099
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
4-(fluoromethyl)pyridine-3-sulfonyl chloride
CID 129453019
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788
1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol
CID 104739077
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(fluoromethyl)pyridine?
The IUPAC name of 3-fluoro-4-(fluoromethyl)pyridine (CID 105427398) is 3-fluoro-4-(fluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-4-(fluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-4-(fluoromethyl)pyridine is FCc1ccncc1F.
What is the InChIKey of 3-fluoro-4-(fluoromethyl)pyridine?
The InChIKey is MQTNZXQGYZTLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2.
What are the key properties of 3-fluoro-4-(fluoromethyl)pyridine?
3-fluoro-4-(fluoromethyl)pyridine has a molecular weight of 129.11 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(fluoromethyl)pyridine is sourced from PubChem (CID 105427398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).