2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine

C10H9ClN2 — CID 123707586

IUPAC2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine
SMILESClc1ncc(C2C=CC=CC2)cn1
InChIInChI=1S/C10H9ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-4,6-8H,5H2
InChIKeyCVGLTCZBQAHIEM-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine

2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine (PubChem CID 123707586) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine
PubChem CID123707586
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine
SMILESClc1ncc(C2C=CC=CC2)cn1
InChIInChI=1S/C10H9ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-4,6-8H,5H2
InChIKeyCVGLTCZBQAHIEM-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
CID 174755041
4-cyclohexa-2,4-dien-1-ylpyridine
CID 141178072
1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
CID 101147961
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
CID 145073957
(4-cyclohexa-2,4-dien-1-ylphenyl)-methylazanium
CID 145025036
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
CID 126515673
4-cyclohexa-2,4-dien-1-ylbenzamide
CID 154350232
2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 170046238
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
CID 173062181
2-chloro-5-(1,3-dioxol-2-yl)pyrimidine
CID 141389024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine?
The IUPAC name of 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine (CID 123707586) is 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine?
The canonical SMILES for 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine is Clc1ncc(C2C=CC=CC2)cn1.
What is the InChIKey of 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine?
The InChIKey is CVGLTCZBQAHIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-4,6-8H,5H2.
What are the key properties of 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine?
2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine has a molecular weight of 192.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine is sourced from PubChem (CID 123707586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).