3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine

C12H6F2N2 — CID 177485987

IUPAC3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
SMILESFc1cnccc1C#Cc1ccncc1F
InChIInChI=1S/C12H6F2N2/c13-11-7-15-5-3-9(11)1-2-10-4-6-16-8-12(10)14/h3-8H
InChIKeyKTMXJKGDSXASIF-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.15
Rot. Bonds

About 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine

3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine (PubChem CID 177485987) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
PubChem CID177485987
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
SMILESFc1cnccc1C#Cc1ccncc1F
InChIInChI=1S/C12H6F2N2/c13-11-7-15-5-3-9(11)1-2-10-4-6-16-8-12(10)14/h3-8H
InChIKeyKTMXJKGDSXASIF-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
CID 106226030
3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
CID 147199411
(3-fluoro-4-pyridinyl)stannane
CID 87473673
4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
CID 56958698
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
3-fluoro-4-(trideuteriomethyl)pyridine
CID 164664231
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
4-fluoropyridine-3-carboxylic acid
CID 2762936
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
3-fluoro-4-(2-phenylethenyl)pyridine
CID 54568190
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine?
The IUPAC name of 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine (CID 177485987) is 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine.
What is the SMILES notation for 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine?
The canonical SMILES for 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine is Fc1cnccc1C#Cc1ccncc1F.
What is the InChIKey of 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine?
The InChIKey is KTMXJKGDSXASIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-11-7-15-5-3-9(11)1-2-10-4-6-16-8-12(10)14/h3-8H.
What are the key properties of 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine?
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine has a molecular weight of 216.19 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine is sourced from PubChem (CID 177485987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).