5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C14H15ClN4O2 — CID 138041096

IUPAC5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCn1cc(C2CCCN2c2ncc(C(=O)O)cc2Cl)cn1
InChIInChI=1S/C14H15ClN4O2/c1-18-8-10(7-17-18)12-3-2-4-19(12)13-11(15)5-9(6-16-13)14(20)21/h5-8,12H,2-4H2,1H3,(H,20,21)
InChIKeyVESBTLVSRMCLIL-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 138041096) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID138041096
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCn1cc(C2CCCN2c2ncc(C(=O)O)cc2Cl)cn1
InChIInChI=1S/C14H15ClN4O2/c1-18-8-10(7-17-18)12-3-2-4-19(12)13-11(15)5-9(6-16-13)14(20)21/h5-8,12H,2-4H2,1H3,(H,20,21)
InChIKeyVESBTLVSRMCLIL-UHFFFAOYSA-N
XLogP2.51
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 138041096) is 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is Cn1cc(C2CCCN2c2ncc(C(=O)O)cc2Cl)cn1.
What is the InChIKey of 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VESBTLVSRMCLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-18-8-10(7-17-18)12-3-2-4-19(12)13-11(15)5-9(6-16-13)14(20)21/h5-8,12H,2-4H2,1H3,(H,20,21).
What are the key properties of 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 138041096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).