5-(cyclopropylmethoxy)pyridine-2-carboxylic acid

C10H11NO3 — CID 66691895

IUPAC5-(cyclopropylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C10H11NO3/c12-10(13)9-4-3-8(5-11-9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)
InChIKeyMSGZKTIVCZJNCO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.57
Rot. Bonds4

About 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid

5-(cyclopropylmethoxy)pyridine-2-carboxylic acid (PubChem CID 66691895) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)pyridine-2-carboxylic acid
PubChem CID66691895
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-(cyclopropylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C10H11NO3/c12-10(13)9-4-3-8(5-11-9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)
InChIKeyMSGZKTIVCZJNCO-UHFFFAOYSA-N
XLogP1.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2050099
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CID 1519345
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CID 15080989
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid (CID 66691895) is 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OCC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is MSGZKTIVCZJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(13)9-4-3-8(5-11-9)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13).
What are the key properties of 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid?
5-(cyclopropylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 66691895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).