5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine

C9H5BrClN3S — CID 66320532

IUPAC5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
SMILESClc1cccnc1Sc1ncncc1Br
InChIInChI=1S/C9H5BrClN3S/c10-6-4-12-5-14-8(6)15-9-7(11)2-1-3-13-9/h1-5H
InChIKeyFCTAHLSZRIBXLS-UHFFFAOYSA-N
MW302.58 g/mol
LogP3.44
Rot. Bonds2

About 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine

5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine (PubChem CID 66320532) has the molecular formula C9H5BrClN3S and a molecular weight of 302.58 g/mol. Its IUPAC name is 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
PubChem CID66320532
Molecular FormulaC9H5BrClN3S
Molecular Weight302.58 g/mol
Exact Mass300.91
IUPAC Name5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
SMILESClc1cccnc1Sc1ncncc1Br
InChIInChI=1S/C9H5BrClN3S/c10-6-4-12-5-14-8(6)15-9-7(11)2-1-3-13-9/h1-5H
InChIKeyFCTAHLSZRIBXLS-UHFFFAOYSA-N
XLogP3.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623723
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
5-bromo-4-(4-bromophenyl)sulfanylpyrimidine
CID 66320526
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
CID 80891436
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
CID 79075598
4-[(3-chloro-2-pyridinyl)sulfanyl]quinazolin-7-amine
CID 65336335
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
CID 61370219
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 114791282

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine?
The IUPAC name of 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine (CID 66320532) is 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine?
The canonical SMILES for 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine is Clc1cccnc1Sc1ncncc1Br.
What is the InChIKey of 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine?
The InChIKey is FCTAHLSZRIBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3S/c10-6-4-12-5-14-8(6)15-9-7(11)2-1-3-13-9/h1-5H.
What are the key properties of 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine?
5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine has a molecular weight of 302.58 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine is sourced from PubChem (CID 66320532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).