5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine

C12H13ClIN4P — CID 142334449

IUPAC5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESC=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C12H13ClIN4P/c1-4-5-7(2)15-9-6-10(13)17-12-11(9)16-8(3)18(12)19-14/h4-6,19H,1H2,2-3H3,(H,15,17)/b7-5+
InChIKeyCKCYZSAKTPCICW-FNORWQNLSA-N
MW406.60 g/mol
LogP4.69
Rot. Bonds4

About 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine

5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 142334449) has the molecular formula C12H13ClIN4P and a molecular weight of 406.60 g/mol. Its IUPAC name is 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine
PubChem CID142334449
Molecular FormulaC12H13ClIN4P
Molecular Weight406.60 g/mol
Exact Mass405.96
IUPAC Name5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESC=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C12H13ClIN4P/c1-4-5-7(2)15-9-6-10(13)17-12-11(9)16-8(3)18(12)19-14/h4-6,19H,1H2,2-3H3,(H,15,17)/b7-5+
InChIKeyCKCYZSAKTPCICW-FNORWQNLSA-N
XLogP4.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine (CID 142334449) is 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine is C=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C)n2PI.
What is the InChIKey of 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is CKCYZSAKTPCICW-FNORWQNLSA-N. The full InChI is InChI=1S/C12H13ClIN4P/c1-4-5-7(2)15-9-6-10(13)17-12-11(9)16-8(3)18(12)19-14/h4-6,19H,1H2,2-3H3,(H,15,17)/b7-5+.
What are the key properties of 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine?
5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 406.60 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).