2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid

C10H6ClN3O2S — CID 107555254

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H6ClN3O2S/c11-6-2-1-4-12-8(6)17-10-13-5-3-7(14-10)9(15)16/h1-5H,(H,15,16)
InChIKeySUTHDWIXDVUEHB-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.37
Rot. Bonds3

About 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid

2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid (PubChem CID 107555254) has the molecular formula C10H6ClN3O2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid
PubChem CID107555254
Molecular FormulaC10H6ClN3O2S
Molecular Weight267.70 g/mol
Exact Mass266.99
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H6ClN3O2S/c11-6-2-1-4-12-8(6)17-10-13-5-3-7(14-10)9(15)16/h1-5H,(H,15,16)
InChIKeySUTHDWIXDVUEHB-UHFFFAOYSA-N
XLogP2.37
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid (CID 107555254) is 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(Sc2ncccc2Cl)n1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid?
The InChIKey is SUTHDWIXDVUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S/c11-6-2-1-4-12-8(6)17-10-13-5-3-7(14-10)9(15)16/h1-5H,(H,15,16).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid?
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid has a molecular weight of 267.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).