4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid

C10H6ClN3O2 — CID 28811995

IUPAC4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-8-6(10(15)16)5-13-9(14-8)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyCKTVZFNUVQPOSV-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.89
Rot. Bonds2

About 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid

4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid (PubChem CID 28811995) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
PubChem CID28811995
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-8-6(10(15)16)5-13-9(14-8)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyCKTVZFNUVQPOSV-UHFFFAOYSA-N
XLogP1.89
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid (CID 28811995) is 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccn2)nc1Cl.
What is the InChIKey of 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is CKTVZFNUVQPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-8-6(10(15)16)5-13-9(14-8)7-3-1-2-4-12-7/h1-5H,(H,15,16).
What are the key properties of 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid?
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 235.63 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 28811995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).