(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate

C7H6FIN2O2 — CID 175430042

IUPAC(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1nccc(I)c1F
InChIInChI=1S/C7H6FIN2O2/c8-6-4(9)1-2-11-5(6)3-13-7(10)12/h1-2H,3H2,(H2,10,12)
InChIKeyMERKYNKYWBGBLP-UHFFFAOYSA-N
MW296.04 g/mol
LogP1.42
Rot. Bonds2

About (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate

(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate (PubChem CID 175430042) has the molecular formula C7H6FIN2O2 and a molecular weight of 296.04 g/mol. Its IUPAC name is (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate
PubChem CID175430042
Molecular FormulaC7H6FIN2O2
Molecular Weight296.04 g/mol
Exact Mass295.95
IUPAC Name(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1nccc(I)c1F
InChIInChI=1S/C7H6FIN2O2/c8-6-4(9)1-2-11-5(6)3-13-7(10)12/h1-2H,3H2,(H2,10,12)
InChIKeyMERKYNKYWBGBLP-UHFFFAOYSA-N
XLogP1.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.04
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate
CID 175430029
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
CID 162681170
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
(3-chloro-4-iodo-2-pyridinyl) carbamate
CID 175563884
methyl 4-[(3-fluoro-4-iodo-2-pyridinyl)amino]butanoate
CID 162684755
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
2-fluoro-4-iodopyridine-3-sulfonamide
CID 130882382
1H-imidazol-2-ylmethyl carbamate
CID 23172617
2-fluoro-3-hydroperoxy-4-iodopyridine
CID 163928506
2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
CID 82575289

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate?
The IUPAC name of (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate (CID 175430042) is (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate.
What is the SMILES notation for (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate?
The canonical SMILES for (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate is NC(=O)OCc1nccc(I)c1F.
What is the InChIKey of (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate?
The InChIKey is MERKYNKYWBGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2O2/c8-6-4(9)1-2-11-5(6)3-13-7(10)12/h1-2H,3H2,(H2,10,12).
What are the key properties of (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate?
(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate has a molecular weight of 296.04 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-iodo-2-pyridinyl)methyl carbamate is sourced from PubChem (CID 175430042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).