4-iodo-7-methylpyrido[2,3-d]pyrimidine

C8H6IN3 — CID 88934340

IUPAC4-iodo-7-methylpyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(I)ncnc2n1
InChIInChI=1S/C8H6IN3/c1-5-2-3-6-7(9)10-4-11-8(6)12-5/h2-4H,1H3
InChIKeyANJGFLSWJLAMQN-UHFFFAOYSA-N
MW271.06 g/mol
LogP1.94
Rot. Bonds

About 4-iodo-7-methylpyrido[2,3-d]pyrimidine

4-iodo-7-methylpyrido[2,3-d]pyrimidine (PubChem CID 88934340) has the molecular formula C8H6IN3 and a molecular weight of 271.06 g/mol. Its IUPAC name is 4-iodo-7-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-iodo-7-methylpyrido[2,3-d]pyrimidine
PubChem CID88934340
Molecular FormulaC8H6IN3
Molecular Weight271.06 g/mol
Exact Mass270.96
IUPAC Name4-iodo-7-methylpyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(I)ncnc2n1
InChIInChI=1S/C8H6IN3/c1-5-2-3-6-7(9)10-4-11-8(6)12-5/h2-4H,1H3
InChIKeyANJGFLSWJLAMQN-UHFFFAOYSA-N
XLogP1.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-1,8-naphthyridine
CID 594113
7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 66808472
7-methyl-1,8-naphthyridine-4-carboxylic acid
CID 12528926
N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
CID 159819152
2,7-dimethyl-1,8-naphthyridine-3,4-diamine
CID 164964707
6-methylpyrido[2,3-b]pyrazine
CID 10419316
(2-iodo-6-methyl-3-pyridinyl)boronic acid
CID 91882885
N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
CID 57469900
5-methyloxadiazolo[4,5-b]pyridine
CID 162788968
7-iodo-2-methylquinolin-5-ol
CID 135553020
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
5-chloro-4-iodo-6-methylpyrimidine
CID 118072252

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-iodo-7-methylpyrido[2,3-d]pyrimidine (CID 88934340) is 4-iodo-7-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-iodo-7-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-iodo-7-methylpyrido[2,3-d]pyrimidine is Cc1ccc2c(I)ncnc2n1.
What is the InChIKey of 4-iodo-7-methylpyrido[2,3-d]pyrimidine?
The InChIKey is ANJGFLSWJLAMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3/c1-5-2-3-6-7(9)10-4-11-8(6)12-5/h2-4H,1H3.
What are the key properties of 4-iodo-7-methylpyrido[2,3-d]pyrimidine?
4-iodo-7-methylpyrido[2,3-d]pyrimidine has a molecular weight of 271.06 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 88934340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).