chloro 5-fluoropyridine-3-carboxylate

C6H3ClFNO2 — CID 174465391

IUPACchloro 5-fluoropyridine-3-carboxylate
SMILESO=C(OCl)c1cncc(F)c1
InChIInChI=1S/C6H3ClFNO2/c7-11-6(10)4-1-5(8)3-9-2-4/h1-3H
InChIKeyXTRJCLMTYPBPDE-UHFFFAOYSA-N
MW175.55 g/mol
LogP1.53
Rot. Bonds1

About chloro 5-fluoropyridine-3-carboxylate

chloro 5-fluoropyridine-3-carboxylate (PubChem CID 174465391) has the molecular formula C6H3ClFNO2 and a molecular weight of 175.55 g/mol. Its IUPAC name is chloro 5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namechloro 5-fluoropyridine-3-carboxylate
PubChem CID174465391
Molecular FormulaC6H3ClFNO2
Molecular Weight175.55 g/mol
Exact Mass174.98
IUPAC Namechloro 5-fluoropyridine-3-carboxylate
SMILESO=C(OCl)c1cncc(F)c1
InChIInChI=1S/C6H3ClFNO2/c7-11-6(10)4-1-5(8)3-9-2-4/h1-3H
InChIKeyXTRJCLMTYPBPDE-UHFFFAOYSA-N
XLogP1.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.55
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-4-(5-fluoropyridine-3-carbonyl)oxybut-2-enyl] 5-fluoropyridine-3-carboxylate
CID 6445616
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
(5-fluoro-3-pyridinyl) carbonochloridate
CID 130700465
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
pent-1-en-3-yl 5-fluoropyridine-3-carboxylate
CID 86782372
(Z)-2-ethyl-1-(5-fluoro-3-pyridinyl)but-2-en-1-one
CID 103447512
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
1-(5-fluoro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 105112750
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
CID 155949460

Frequently Asked Questions

What is the IUPAC name of chloro 5-fluoropyridine-3-carboxylate?
The IUPAC name of chloro 5-fluoropyridine-3-carboxylate (CID 174465391) is chloro 5-fluoropyridine-3-carboxylate.
What is the SMILES notation for chloro 5-fluoropyridine-3-carboxylate?
The canonical SMILES for chloro 5-fluoropyridine-3-carboxylate is O=C(OCl)c1cncc(F)c1.
What is the InChIKey of chloro 5-fluoropyridine-3-carboxylate?
The InChIKey is XTRJCLMTYPBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO2/c7-11-6(10)4-1-5(8)3-9-2-4/h1-3H.
What are the key properties of chloro 5-fluoropyridine-3-carboxylate?
chloro 5-fluoropyridine-3-carboxylate has a molecular weight of 175.55 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 174465391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).