2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine

C10H7ClFN3S — CID 79734154

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2ncc(Cl)cc2F)n1
InChIInChI=1S/C10H7ClFN3S/c1-6-2-3-13-10(15-6)16-9-8(12)4-7(11)5-14-9/h2-5H,1H3
InChIKeyWISVMSOBYVJZEB-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.12
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine (PubChem CID 79734154) has the molecular formula C10H7ClFN3S and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
PubChem CID79734154
Molecular FormulaC10H7ClFN3S
Molecular Weight255.71 g/mol
Exact Mass255.00
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2ncc(Cl)cc2F)n1
InChIInChI=1S/C10H7ClFN3S/c1-6-2-3-13-10(15-6)16-9-8(12)4-7(11)5-14-9/h2-5H,1H3
InChIKeyWISVMSOBYVJZEB-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11381029
4-(3-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11460771
4-(3,4-Dichlorophenylthio)-2-(5-fluoropyridin-2-yl)pyrimidine
CID 11256656
2-Pyridin-2-ylsulfanylpyrimidine
CID 100517
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
4-Chloro-6-methyl-2-(pyridin-2-yl)pyrimidine
CID 2763395
4-(4-Chlorophenylthio)-6-methyl-2-(pyridin-2-yl)pyrimidine
CID 2725933
5-Chloro-4-(4-chlorophenyl)sulfanyl-6-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 2745956
4-Chlorophenyl [6-(methylsulfanyl)-2-(2-pyridinyl)-4-pyrimidinyl]methyl sulfide
CID 1471760
2-(Pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 13058749
2-Pyridin-4-ylsulfanylpyrimidine
CID 118723746
Pyridinium, 1-(4-((4,6-dimethyl-2-pyrimidinyl)thio)butyl)-, bromide
CID 13223186

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine (CID 79734154) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine is Cc1ccnc(Sc2ncc(Cl)cc2F)n1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The InChIKey is WISVMSOBYVJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3S/c1-6-2-3-13-10(15-6)16-9-8(12)4-7(11)5-14-9/h2-5H,1H3.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine has a molecular weight of 255.71 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine is sourced from PubChem (CID 79734154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).