(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate

C13H10ClNO3 — CID 175032334

IUPAC(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)c1ncccc1CO
InChIInChI=1S/C13H10ClNO3/c14-10-4-1-5-11(7-10)18-13(17)12-9(8-16)3-2-6-15-12/h1-7,16H,8H2
InChIKeyLCMHVCYYRHHMHX-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.45
Rot. Bonds3

About (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate

(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 175032334) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID175032334
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)c1ncccc1CO
InChIInChI=1S/C13H10ClNO3/c14-10-4-1-5-11(7-10)18-13(17)12-9(8-16)3-2-6-15-12/h1-7,16H,8H2
InChIKeyLCMHVCYYRHHMHX-UHFFFAOYSA-N
XLogP2.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 5-amino-2H-triazole-4-carboxylate
CID 117213959
tert-butyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 133061351
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
CID 21355676
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484
4-(3-chlorophenoxy)carbonylpyrimidine-2-carboxylic acid
CID 117212836
3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697
(3-chlorophenyl) 3,4,5-trihydroxybenzoate
CID 88595944
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
(3-chlorophenyl) 5-hydroxypentanoate
CID 174546388

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate (CID 175032334) is (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate is O=C(Oc1cccc(Cl)c1)c1ncccc1CO.
What is the InChIKey of (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is LCMHVCYYRHHMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-4-1-5-11(7-10)18-13(17)12-9(8-16)3-2-6-15-12/h1-7,16H,8H2.
What are the key properties of (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate?
(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 175032334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).