6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid

C14H11ClN2O5 — CID 89326648

IUPAC6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid
SMILESCc1ncc(CO)c(C=O)c1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClN2O5/c1-7-12(10(6-19)8(5-18)4-16-7)22-13-9(14(20)21)2-3-11(15)17-13/h2-4,6,18H,5H2,1H3,(H,20,21)
InChIKeyNXGGISPHNUCIMV-UHFFFAOYSA-N
MW322.70 g/mol
LogP2.23
Rot. Bonds5

About 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid

6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid (PubChem CID 89326648) has the molecular formula C14H11ClN2O5 and a molecular weight of 322.70 g/mol. Its IUPAC name is 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid
PubChem CID89326648
Molecular FormulaC14H11ClN2O5
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid
SMILESCc1ncc(CO)c(C=O)c1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClN2O5/c1-7-12(10(6-19)8(5-18)4-16-7)22-13-9(14(20)21)2-3-11(15)17-13/h2-4,6,18H,5H2,1H3,(H,20,21)
InChIKeyNXGGISPHNUCIMV-UHFFFAOYSA-N
XLogP2.23
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridazine-4-carboxylic acid
CID 89326647
3-(6-chloropyridazin-3-yl)oxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 175863207
2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-5-nitrobenzoic acid
CID 89326658
5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
CID 23422601
[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 11769724
6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid
CID 89326131
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid (CID 89326648) is 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid is Cc1ncc(CO)c(C=O)c1Oc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid?
The InChIKey is NXGGISPHNUCIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5/c1-7-12(10(6-19)8(5-18)4-16-7)22-13-9(14(20)21)2-3-11(15)17-13/h2-4,6,18H,5H2,1H3,(H,20,21).
What are the key properties of 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid?
6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 89326648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).