N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide

C9H10ClIN2O — CID 136570789

IUPACN-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccnc(Cl)c1I
InChIInChI=1S/C9H10ClIN2O/c1-5(2)9(14)13-6-3-4-12-8(10)7(6)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeySEMWIQKPBBMRHP-UHFFFAOYSA-N
MW324.55 g/mol
LogP2.93
Rot. Bonds2

About N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide

N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide (PubChem CID 136570789) has the molecular formula C9H10ClIN2O and a molecular weight of 324.55 g/mol. Its IUPAC name is N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide
PubChem CID136570789
Molecular FormulaC9H10ClIN2O
Molecular Weight324.55 g/mol
Exact Mass323.95
IUPAC NameN-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccnc(Cl)c1I
InChIInChI=1S/C9H10ClIN2O/c1-5(2)9(14)13-6-3-4-12-8(10)7(6)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeySEMWIQKPBBMRHP-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide (CID 136570789) is N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccnc(Cl)c1I.
What is the InChIKey of N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide?
The InChIKey is SEMWIQKPBBMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O/c1-5(2)9(14)13-6-3-4-12-8(10)7(6)11/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide?
N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide has a molecular weight of 324.55 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 136570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).