5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid

C14H10ClNO5 — CID 63850150

IUPAC5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cc(Cl)c3c(c2)OCO3)c1
InChIInChI=1S/C14H10ClNO5/c15-11-1-8(2-12-13(11)21-7-20-12)6-19-10-3-9(14(17)18)4-16-5-10/h1-5H,6-7H2,(H,17,18)
InChIKeyQNZOWDXDPINFIP-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.74
Rot. Bonds4

About 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid

5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63850150) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID63850150
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cc(Cl)c3c(c2)OCO3)c1
InChIInChI=1S/C14H10ClNO5/c15-11-1-8(2-12-13(11)21-7-20-12)6-19-10-3-9(14(17)18)4-16-5-10/h1-5H,6-7H2,(H,17,18)
InChIKeyQNZOWDXDPINFIP-UHFFFAOYSA-N
XLogP2.74
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]propanoic acid
CID 104875465
(7-chloro-1,3-benzodioxol-5-yl)methyl 3-phenoxybenzoate
CID 7603481
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-(4-propanoylphenoxy)acetate
CID 7603501
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 24557812
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 24557972
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]propanoic acid
CID 43143716

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid (CID 63850150) is 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2cc(Cl)c3c(c2)OCO3)c1.
What is the InChIKey of 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is QNZOWDXDPINFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-11-1-8(2-12-13(11)21-7-20-12)6-19-10-3-9(14(17)18)4-16-5-10/h1-5H,6-7H2,(H,17,18).
What are the key properties of 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid?
5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 307.69 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).