6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride

C9H7Cl2N3O2 — CID 23730934

IUPAC6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H6ClN3O2.ClH/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7;/h1-4H,(H2,12,13,14,15);1H
InChIKeyDGKMJYDNSAPXMA-UHFFFAOYSA-N
MW260.08 g/mol
LogP1.20
Rot. Bonds1

About 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride

6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 23730934) has the molecular formula C9H7Cl2N3O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID23730934
Molecular FormulaC9H7Cl2N3O2
Molecular Weight260.08 g/mol
Exact Mass258.99
IUPAC Name6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H6ClN3O2.ClH/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7;/h1-4H,(H2,12,13,14,15);1H
InChIKeyDGKMJYDNSAPXMA-UHFFFAOYSA-N
XLogP1.20
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 155294297
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CID 58133377
2,6-dipyridin-3-ylpyridine
CID 13349632
2-pyridin-3-ylpyridine;dihydrochloride
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3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
CID 126796349
12-pyridin-3-yl-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione;dihydrochloride
CID 142642104
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione
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5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
CID 46317217
6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
CID 23648522

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride (CID 23730934) is 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride is Cl.O=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is DGKMJYDNSAPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2.ClH/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7;/h1-4H,(H2,12,13,14,15);1H.
What are the key properties of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 260.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 23730934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).