(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine

C14H13BrIN4OP — CID 153348480

IUPAC(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine
SMILESCOc1cc(C(=C/N)/C=N/PI)ccc1-c1cnc(Br)cn1
InChIInChI=1S/C14H13BrIN4OP/c1-21-13-4-9(10(5-17)6-20-22-16)2-3-11(13)12-7-19-14(15)8-18-12/h2-8,22H,17H2,1H3/b10-5+,20-6+
InChIKeyWSHGJWWJKDJJFY-ZVUCSSFCSA-N
MW491.07 g/mol
LogP4.23
Rot. Bonds5

About (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine

(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine (PubChem CID 153348480) has the molecular formula C14H13BrIN4OP and a molecular weight of 491.07 g/mol. Its IUPAC name is (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine
PubChem CID153348480
Molecular FormulaC14H13BrIN4OP
Molecular Weight491.07 g/mol
Exact Mass489.91
IUPAC Name(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine
SMILESCOc1cc(C(=C/N)/C=N/PI)ccc1-c1cnc(Br)cn1
InChIInChI=1S/C14H13BrIN4OP/c1-21-13-4-9(10(5-17)6-20-22-16)2-3-11(13)12-7-19-14(15)8-18-12/h2-8,22H,17H2,1H3/b10-5+,20-6+
InChIKeyWSHGJWWJKDJJFY-ZVUCSSFCSA-N
XLogP4.23
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.07
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine
CID 156844930
2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
CID 149337281
5-bromo-4-methoxy-2-phenylpyridine
CID 139429745
5-[4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 149499159
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
5-bromo-2-iodo-4-methoxypyridine
CID 133063880
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
(Z)-2-(6-chloro-4-methoxy-3-pyridinyl)-3-propan-2-yliminoprop-1-en-1-amine
CID 176871395
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 22248987

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine?
The IUPAC name of (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine (CID 153348480) is (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine?
The canonical SMILES for (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine is COc1cc(C(=C/N)/C=N/PI)ccc1-c1cnc(Br)cn1.
What is the InChIKey of (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine?
The InChIKey is WSHGJWWJKDJJFY-ZVUCSSFCSA-N. The full InChI is InChI=1S/C14H13BrIN4OP/c1-21-13-4-9(10(5-17)6-20-22-16)2-3-11(13)12-7-19-14(15)8-18-12/h2-8,22H,17H2,1H3/b10-5+,20-6+.
What are the key properties of (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine?
(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine has a molecular weight of 491.07 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine is sourced from PubChem (CID 153348480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).