4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile

C6H3ClIN3 — CID 89322214

IUPAC4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)ncnc1CI
InChIInChI=1S/C6H3ClIN3/c7-6-4(2-9)5(1-8)10-3-11-6/h3H,1H2
InChIKeySWOYEERBWVEKGX-UHFFFAOYSA-N
MW279.47 g/mol
LogP1.94
Rot. Bonds1

About 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile

4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile (PubChem CID 89322214) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile
PubChem CID89322214
Molecular FormulaC6H3ClIN3
Molecular Weight279.47 g/mol
Exact Mass278.91
IUPAC Name4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)ncnc1CI
InChIInChI=1S/C6H3ClIN3/c7-6-4(2-9)5(1-8)10-3-11-6/h3H,1H2
InChIKeySWOYEERBWVEKGX-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-5-iodo-6-methylpyrimidine
CID 12795369
2,4-Dichloro-6-methylpyrimidine-5-carbonitrile
CID 351434
4-Chloro-5,6-dimethylpyrimidine
CID 12600389
4-Chloro-5-methyl-6-(trifluoromethyl)pyrimidine
CID 17856518
4-Chloro-6-methylpyrimidine-5-carbonitrile
CID 17856582
6-Chloropyrimidine-4-carbonitrile
CID 22498881
5,6-Dichloropyrimidine-4-carbonitrile
CID 54127652
2-Amino-4-chloro-6-methyl-5-pyrimidinecarbonitrile
CID 75412446
4-Chloro-6-(difluoromethyl)-5-methylpyrimidine
CID 17856545
4-Chloro-5-cyano-6-difluoromethylpyrimidine
CID 17856629
4-(Difluoromethyl)-6-iodopyrimidine-5-carbonitrile
CID 85959979
4-Chloro-6-(fluoromethyl)-5-methylpyrimidine
CID 86673378

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile (CID 89322214) is 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile is N#Cc1c(Cl)ncnc1CI.
What is the InChIKey of 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile?
The InChIKey is SWOYEERBWVEKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-6-4(2-9)5(1-8)10-3-11-6/h3H,1H2.
What are the key properties of 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile?
4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile has a molecular weight of 279.47 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(iodomethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 89322214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).