5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol

C12H10F2N2O3 — CID 21128394

IUPAC5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol
SMILESO=C(O)c1cncc(F)c1.OCc1cncc(F)c1
InChIInChI=1S/C6H4FNO2.C6H6FNO/c7-5-1-4(6(9)10)2-8-3-5;7-6-1-5(4-9)2-8-3-6/h1-3H,(H,9,10);1-3,9H,4H2
InChIKeyRSLSRSOBSQQJSC-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.63
Rot. Bonds2

About 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol

5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol (PubChem CID 21128394) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol
PubChem CID21128394
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol
SMILESO=C(O)c1cncc(F)c1.OCc1cncc(F)c1
InChIInChI=1S/C6H4FNO2.C6H6FNO/c7-5-1-4(6(9)10)2-8-3-5;7-6-1-5(4-9)2-8-3-6/h1-3H,(H,9,10);1-3,9H,4H2
InChIKeyRSLSRSOBSQQJSC-UHFFFAOYSA-N
XLogP1.63
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
5-(methylsulfanylmethyl)pyridine-3-carboxylic acid
CID 117212726
chloro 5-fluoropyridine-3-carboxylate
CID 174465391
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530

Frequently Asked Questions

What is the IUPAC name of 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol (CID 21128394) is 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol is O=C(O)c1cncc(F)c1.OCc1cncc(F)c1.
What is the InChIKey of 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol?
The InChIKey is RSLSRSOBSQQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2.C6H6FNO/c7-5-1-4(6(9)10)2-8-3-5;7-6-1-5(4-9)2-8-3-6/h1-3H,(H,9,10);1-3,9H,4H2.
What are the key properties of 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol?
5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol has a molecular weight of 268.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 21128394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).