3-chloro-5-fluoropyridine-4-carboxylic acid

C6H3ClFNO2 — CID 10965050

IUPAC3-chloro-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cncc1Cl
InChIInChI=1S/C6H3ClFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyAPKYTXKVPCYUOG-UHFFFAOYSA-N
MW175.55 g/mol
LogP1.57
Rot. Bonds1

About 3-chloro-5-fluoropyridine-4-carboxylic acid

3-chloro-5-fluoropyridine-4-carboxylic acid (PubChem CID 10965050) has the molecular formula C6H3ClFNO2 and a molecular weight of 175.55 g/mol. Its IUPAC name is 3-chloro-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-fluoropyridine-4-carboxylic acid
PubChem CID10965050
Molecular FormulaC6H3ClFNO2
Molecular Weight175.55 g/mol
Exact Mass174.98
IUPAC Name3-chloro-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cncc1Cl
InChIInChI=1S/C6H3ClFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyAPKYTXKVPCYUOG-UHFFFAOYSA-N
XLogP1.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.55
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-fluoropyridine-4-carboxylic acid (CID 10965050) is 3-chloro-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-fluoropyridine-4-carboxylic acid is O=C(O)c1c(F)cncc1Cl.
What is the InChIKey of 3-chloro-5-fluoropyridine-4-carboxylic acid?
The InChIKey is APKYTXKVPCYUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11).
What are the key properties of 3-chloro-5-fluoropyridine-4-carboxylic acid?
3-chloro-5-fluoropyridine-4-carboxylic acid has a molecular weight of 175.55 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 10965050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).