4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile

C9H4ClN3S — CID 83707861

IUPAC4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cccs2)nc1Cl
InChIInChI=1S/C9H4ClN3S/c10-8-6(4-11)5-12-9(13-8)7-2-1-3-14-7/h1-3,5H
InChIKeyRVQRDBKSEPXEKL-UHFFFAOYSA-N
MW221.67 g/mol
LogP2.73
Rot. Bonds1

About 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile

4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 83707861) has the molecular formula C9H4ClN3S and a molecular weight of 221.67 g/mol. Its IUPAC name is 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID83707861
Molecular FormulaC9H4ClN3S
Molecular Weight221.67 g/mol
Exact Mass220.98
IUPAC Name4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cccs2)nc1Cl
InChIInChI=1S/C9H4ClN3S/c10-8-6(4-11)5-12-9(13-8)7-2-1-3-14-7/h1-3,5H
InChIKeyRVQRDBKSEPXEKL-UHFFFAOYSA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chlorothieno[2,3-b]pyridine-5-carbonitrile
CID 82400712
4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
CID 18931105
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 91137849
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
4-methyl-2-thiophen-2-ylpyrimidine
CID 21025894
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82567026
2-chloro-5-thiophen-2-ylpyrazine
CID 16740536
5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 154458730
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile (CID 83707861) is 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile is N#Cc1cnc(-c2cccs2)nc1Cl.
What is the InChIKey of 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is RVQRDBKSEPXEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3S/c10-8-6(4-11)5-12-9(13-8)7-2-1-3-14-7/h1-3,5H.
What are the key properties of 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile?
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 221.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 83707861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).