6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile

C14H7IN4 — CID 155341345

IUPAC6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2ccc(-c3cccc(I)c3)nc12
InChIInChI=1S/C14H7IN4/c15-10-3-1-2-9(6-10)11-4-5-12-14(19-11)13(7-16)18-8-17-12/h1-6,8H
InChIKeyIDGWUMCKXLGOGM-UHFFFAOYSA-N
MW358.14 g/mol
LogP3.17
Rot. Bonds1

About 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile

6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile (PubChem CID 155341345) has the molecular formula C14H7IN4 and a molecular weight of 358.14 g/mol. Its IUPAC name is 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile
PubChem CID155341345
Molecular FormulaC14H7IN4
Molecular Weight358.14 g/mol
Exact Mass357.97
IUPAC Name6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2ccc(-c3cccc(I)c3)nc12
InChIInChI=1S/C14H7IN4/c15-10-3-1-2-9(6-10)11-4-5-12-14(19-11)13(7-16)18-8-17-12/h1-6,8H
InChIKeyIDGWUMCKXLGOGM-UHFFFAOYSA-N
XLogP3.17
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine
CID 155728996
6-(3-iodophenyl)pyrimidine-4-carbonitrile
CID 121206291
8-chloro-2-(3-iodophenyl)-1,7-naphthyridine
CID 155340444
4-(3,3-dimethylazetidin-1-yl)-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidine
CID 155364533
6-(3-iodophenyl)pyridin-2-amine
CID 22752768
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313
6-(4-fluorophenyl)-4-(4-phenylphenyl)pyrido[3,2-d]pyrimidine
CID 68914278
N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 163213153
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522065
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 155340602
6-(3-bromophenyl)pyrido[3,2-d]pyrimidine
CID 172552156

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile?
The IUPAC name of 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile (CID 155341345) is 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile is N#Cc1ncnc2ccc(-c3cccc(I)c3)nc12.
What is the InChIKey of 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile?
The InChIKey is IDGWUMCKXLGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7IN4/c15-10-3-1-2-9(6-10)11-4-5-12-14(19-11)13(7-16)18-8-17-12/h1-6,8H.
What are the key properties of 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile?
6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile has a molecular weight of 358.14 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 155341345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).