(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine

C9H10ClIN3OP — CID 156844930

IUPAC(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine
SMILESCOc1nc(Cl)ccc1C(=C/N)/C=N/PI
InChIInChI=1S/C9H10ClIN3OP/c1-15-9-7(2-3-8(10)14-9)6(4-12)5-13-16-11/h2-5,16H,12H2,1H3/b6-4+,13-5+
InChIKeyXFCAGGOMWIHZBI-XHTJEAMOSA-N
MW369.53 g/mol
LogP3.06
Rot. Bonds4

About (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine

(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine (PubChem CID 156844930) has the molecular formula C9H10ClIN3OP and a molecular weight of 369.53 g/mol. Its IUPAC name is (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine
PubChem CID156844930
Molecular FormulaC9H10ClIN3OP
Molecular Weight369.53 g/mol
Exact Mass368.93
IUPAC Name(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine
SMILESCOc1nc(Cl)ccc1C(=C/N)/C=N/PI
InChIInChI=1S/C9H10ClIN3OP/c1-15-9-7(2-3-8(10)14-9)6(4-12)5-13-16-11/h2-5,16H,12H2,1H3/b6-4+,13-5+
InChIKeyXFCAGGOMWIHZBI-XHTJEAMOSA-N
XLogP3.06
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine with MolForge

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Related Compounds

6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
CID 156880920
(2Z)-2-(6-chloro-2-methoxy-3-pyridinyl)-2-hydrazinylideneethanimine
CID 156845008
(Z,3E)-2-[4-(5-bromopyrazin-2-yl)-3-methoxyphenyl]-3-iodophosphanyliminoprop-1-en-1-amine
CID 153348480
(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
CID 86596737
6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609889
(Z)-2-(6-chloro-4-methoxy-3-pyridinyl)-3-propan-2-yliminoprop-1-en-1-amine
CID 176871395
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
1-(6-chloro-2-methoxy-3-pyridinyl)piperidin-4-ol
CID 156661027
4-(6-chloro-2-methoxy-3-pyridinyl)pyridazine
CID 177188668
6-chloro-3-iodo-2-methoxypyridin-4-amine
CID 162736407
2,6-dichloro-3-(1-methoxyethenyl)pyridine
CID 87903575

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine?
The IUPAC name of (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine (CID 156844930) is (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine?
The canonical SMILES for (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine is COc1nc(Cl)ccc1C(=C/N)/C=N/PI.
What is the InChIKey of (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine?
The InChIKey is XFCAGGOMWIHZBI-XHTJEAMOSA-N. The full InChI is InChI=1S/C9H10ClIN3OP/c1-15-9-7(2-3-8(10)14-9)6(4-12)5-13-16-11/h2-5,16H,12H2,1H3/b6-4+,13-5+.
What are the key properties of (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine?
(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine has a molecular weight of 369.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine is sourced from PubChem (CID 156844930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).