carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid

C10H11IN2O4 — CID 66748317

IUPACcarboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid
SMILESCc1nc(N(C(=O)O)C(=O)O)c(C)c(I)c1C
InChIInChI=1S/C10H11IN2O4/c1-4-6(3)12-8(5(2)7(4)11)13(9(14)15)10(16)17/h1-3H3,(H,14,15)(H,16,17)
InChIKeyDEXNMSFNDBBCMR-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.77
Rot. Bonds1

About carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid

carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid (PubChem CID 66748317) has the molecular formula C10H11IN2O4 and a molecular weight of 350.11 g/mol. Its IUPAC name is carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid.

Molecular Properties

Compound Namecarboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid
PubChem CID66748317
Molecular FormulaC10H11IN2O4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Namecarboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid
SMILESCc1nc(N(C(=O)O)C(=O)O)c(C)c(I)c1C
InChIInChI=1S/C10H11IN2O4/c1-4-6(3)12-8(5(2)7(4)11)13(9(14)15)10(16)17/h1-3H3,(H,14,15)(H,16,17)
InChIKeyDEXNMSFNDBBCMR-UHFFFAOYSA-N
XLogP2.77
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,5,6,7-Pentamethylpyrido[2,3-d]pyrimidin-2-one
CID 53678451
tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 67535067
(4,6-Dimethyl-2-pyridinyl)carbamic acid
CID 69070197
(4,6-Dimethyl-2-pyridinyl)-phenylcarbamic acid
CID 69071289
(5-Bromo-4,6-ditert-butyl-3-methyl-2-pyridinyl)-carboxycarbamic acid
CID 70037366
Carboxy-(6-ethenyl-2-pyridinyl)carbamic acid
CID 89905687
(6-Amino-5-iodo-2-methyl-3-pyridinyl)methyl-tert-butylcarbamic acid
CID 90039564
[6-(Dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid
CID 151142010
methyl N-(3,4,5,6-tetramethyl-2-pyridinyl)carbamate
CID 157366725
4-(Dimethylamino)-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 175337080
(4,6-Dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid
CID 53249594
2-(Dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid
CID 70532570

Frequently Asked Questions

What is the IUPAC name of carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid?
The IUPAC name of carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid (CID 66748317) is carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid.
What is the SMILES notation for carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid?
The canonical SMILES for carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid is Cc1nc(N(C(=O)O)C(=O)O)c(C)c(I)c1C.
What is the InChIKey of carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid?
The InChIKey is DEXNMSFNDBBCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O4/c1-4-6(3)12-8(5(2)7(4)11)13(9(14)15)10(16)17/h1-3H3,(H,14,15)(H,16,17).
What are the key properties of carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid?
carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid has a molecular weight of 350.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid is sourced from PubChem (CID 66748317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).