5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid

C12H9ClN2O3 — CID 79794515

IUPAC5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccncc2Cl)cn1
InChIInChI=1S/C12H9ClN2O3/c13-10-6-14-4-3-8(10)7-18-9-1-2-11(12(16)17)15-5-9/h1-6H,7H2,(H,16,17)
InChIKeyNRRXJIVISIFBDK-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.41
Rot. Bonds4

About 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid

5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79794515) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
PubChem CID79794515
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccncc2Cl)cn1
InChIInChI=1S/C12H9ClN2O3/c13-10-6-14-4-3-8(10)7-18-9-1-2-11(12(16)17)15-5-9/h1-6H,7H2,(H,16,17)
InChIKeyNRRXJIVISIFBDK-UHFFFAOYSA-N
XLogP2.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
CID 79799954
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
CID 104876476
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid (CID 79794515) is 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2ccncc2Cl)cn1.
What is the InChIKey of 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is NRRXJIVISIFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-10-6-14-4-3-8(10)7-18-9-1-2-11(12(16)17)15-5-9/h1-6H,7H2,(H,16,17).
What are the key properties of 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid?
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).