3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid

C17H13NO3 — CID 61380024

IUPAC3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cccc2ccccc12
InChIInChI=1S/C17H13NO3/c19-17(20)16-15(9-4-10-18-16)21-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,19,20)
InChIKeyMQJNSYQJLMJNJB-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.51
Rot. Bonds4

About 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid

3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 61380024) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID61380024
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cccc2ccccc12
InChIInChI=1S/C17H13NO3/c19-17(20)16-15(9-4-10-18-16)21-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,19,20)
InChIKeyMQJNSYQJLMJNJB-UHFFFAOYSA-N
XLogP3.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
CID 67883357
CID 67883357
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
CID 62711505
N-[2-(naphthalen-1-ylmethoxy)-3-pyridinyl]benzamide
CID 140808981

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid (CID 61380024) is 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is MQJNSYQJLMJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)16-15(9-4-10-18-16)21-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,19,20).
What are the key properties of 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid?
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61380024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).