1-(3-chlorophenyl)-2H-pyrimidine

C10H9ClN2 — CID 154175502

IUPAC1-(3-chlorophenyl)-2H-pyrimidine
SMILESClc1cccc(N2C=CC=NC2)c1
InChIInChI=1S/C10H9ClN2/c11-9-3-1-4-10(7-9)13-6-2-5-12-8-13/h1-7H,8H2
InChIKeyVQBHYYFNDWYQNR-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.70
Rot. Bonds1

About 1-(3-chlorophenyl)-2H-pyrimidine

1-(3-chlorophenyl)-2H-pyrimidine (PubChem CID 154175502) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2H-pyrimidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2H-pyrimidine
PubChem CID154175502
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-(3-chlorophenyl)-2H-pyrimidine
SMILESClc1cccc(N2C=CC=NC2)c1
InChIInChI=1S/C10H9ClN2/c11-9-3-1-4-10(7-9)13-6-2-5-12-8-13/h1-7H,8H2
InChIKeyVQBHYYFNDWYQNR-UHFFFAOYSA-N
XLogP2.70
TPSA15.60 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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
1-(3-chlorophenyl)azonane
CID 145391535
5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 84680740
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
2-(3-chlorophenyl)-1,3-dihydro-1,2,4-triazole-3-carbaldehyde
CID 174495047
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
4-(3-chlorophenyl)-1,2,4-triazole-3-carbaldehyde
CID 83883531
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
CID 22337597
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838
2-(3-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672777
[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009503

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2H-pyrimidine?
The IUPAC name of 1-(3-chlorophenyl)-2H-pyrimidine (CID 154175502) is 1-(3-chlorophenyl)-2H-pyrimidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2H-pyrimidine?
The canonical SMILES for 1-(3-chlorophenyl)-2H-pyrimidine is Clc1cccc(N2C=CC=NC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2H-pyrimidine?
The InChIKey is VQBHYYFNDWYQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-9-3-1-4-10(7-9)13-6-2-5-12-8-13/h1-7H,8H2.
What are the key properties of 1-(3-chlorophenyl)-2H-pyrimidine?
1-(3-chlorophenyl)-2H-pyrimidine has a molecular weight of 192.65 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2H-pyrimidine is sourced from PubChem (CID 154175502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).