methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate

C11H10ClN3O3 — CID 53235501

IUPACmethyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-18-11(17)9-5-7(6-16)14-15(9)10-8(12)3-2-4-13-10/h2-5,16H,6H2,1H3
InChIKeyLIVBOELPEIGMQV-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.20
Rot. Bonds3

About methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate

methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate (PubChem CID 53235501) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate
PubChem CID53235501
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Namemethyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-18-11(17)9-5-7(6-16)14-15(9)10-8(12)3-2-4-13-10/h2-5,16H,6H2,1H3
InChIKeyLIVBOELPEIGMQV-UHFFFAOYSA-N
XLogP1.20
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Chloropyridin-2-yl)-3-{[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl}-1H-pyrazole-5-carboxylic acid
CID 67289880
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 11587535
3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid
CID 1860644
Ethyl 3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 11587974
Methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 49850068
3-Chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 21107332
methyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylate
CID 2028601
5-methyl-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid
CID 2726226
1-(3-chloropyridin-2-yl)-3-methoxy-1H-pyrazole-5-carboxylic acid
CID 50989286
Ethyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate
CID 53240402
1-(3-chloro-2-pyridinyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 66853849
1-(3-Chloro-2-pyridinyl)-3-(2-propynyloxy)-1H-pyrazole-5-carboxylic acid
CID 86602665

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate?
The IUPAC name of methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate (CID 53235501) is methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate is COC(=O)c1cc(CO)nn1-c1ncccc1Cl.
What is the InChIKey of methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate?
The InChIKey is LIVBOELPEIGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-18-11(17)9-5-7(6-16)14-15(9)10-8(12)3-2-4-13-10/h2-5,16H,6H2,1H3.
What are the key properties of methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate?
methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 53235501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).