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

C13H7ClIN3 — CID 155728996

IUPAC4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine
SMILESClc1ncnc2ccc(-c3cccc(I)c3)nc12
InChIInChI=1S/C13H7ClIN3/c14-13-12-11(16-7-17-13)5-4-10(18-12)8-2-1-3-9(15)6-8/h1-7H
InChIKeyMBKDAIICGJZNQQ-UHFFFAOYSA-N
MW367.58 g/mol
LogP3.95
Rot. Bonds1

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

4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 155728996) has the molecular formula C13H7ClIN3 and a molecular weight of 367.58 g/mol. Its IUPAC name is 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine
PubChem CID155728996
Molecular FormulaC13H7ClIN3
Molecular Weight367.58 g/mol
Exact Mass366.94
IUPAC Name4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine
SMILESClc1ncnc2ccc(-c3cccc(I)c3)nc12
InChIInChI=1S/C13H7ClIN3/c14-13-12-11(16-7-17-13)5-4-10(18-12)8-2-1-3-9(15)6-8/h1-7H
InChIKeyMBKDAIICGJZNQQ-UHFFFAOYSA-N
XLogP3.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.95
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

6-(3-iodophenyl)pyrido[3,2-d]pyrimidine-4-carbonitrile
CID 155341345
8-chloro-2-(3-iodophenyl)-1,7-naphthyridine
CID 155340444
6-(3-iodophenyl)pyridin-2-amine
CID 22752768
8-chloro-2-phenyl-1,5-naphthyridine
CID 121309253
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313
6-(3-iodophenyl)pyrimidine-4-carbonitrile
CID 121206291
6-(4-fluorophenyl)-4-(4-phenylphenyl)pyrido[3,2-d]pyrimidine
CID 68914278
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
CID 24965659
4-(3,3-dimethylazetidin-1-yl)-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidine
CID 155364533
2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol
CID 90017192
32,56,61-triazapentadecacyclo[53.2.2.27,57.28,11.212,15.221,24.225,28.239,42.243,46.247,50.251,54.116,20.129,33.134,38.04,60]octaconta-1(57),2,4(60),5,7(61),8(80),9,11(79),12(78),13,15(77),16,18,20(76),21(75),22,24(74),25(73),26,28(72),29(71),30,32,34,36,38(70),39,41,43,45,47,49,51,53,55,58,62,64,66,68-tetracontaene
CID 140920223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine (CID 155728996) is 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine is Clc1ncnc2ccc(-c3cccc(I)c3)nc12.
What is the InChIKey of 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is MBKDAIICGJZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClIN3/c14-13-12-11(16-7-17-13)5-4-10(18-12)8-2-1-3-9(15)6-8/h1-7H.
What are the key properties of 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine?
4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 367.58 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-iodophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 155728996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).