2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide

C13H9ClIN3O2 — CID 4036296

IUPAC2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C13H9ClIN3O2/c14-12-9(2-1-5-16-12)13(20)18-17-7-8-3-4-11(19)10(15)6-8/h1-7,19H,(H,18,20)
InChIKeyNVXHQXBSPDUMOE-UHFFFAOYSA-N
MW401.59 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide

2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 4036296) has the molecular formula C13H9ClIN3O2 and a molecular weight of 401.59 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID4036296
Molecular FormulaC13H9ClIN3O2
Molecular Weight401.59 g/mol
Exact Mass400.94
IUPAC Name2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C13H9ClIN3O2/c14-12-9(2-1-5-16-12)13(20)18-17-7-8-3-4-11(19)10(15)6-8/h1-7,19H,(H,18,20)
InChIKeyNVXHQXBSPDUMOE-UHFFFAOYSA-N
XLogP2.81
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4644187
2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3467795
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 137151823
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981
2-chloro-N-[(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3387256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide (CID 4036296) is 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1ccc(O)c(I)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is NVXHQXBSPDUMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClIN3O2/c14-12-9(2-1-5-16-12)13(20)18-17-7-8-3-4-11(19)10(15)6-8/h1-7,19H,(H,18,20).
What are the key properties of 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 401.59 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).