4-(Boc-amino)-3-iodopyridine - CAS 211029-67-3
Catalog: |
BB016607 |
Product Name: |
4-(Boc-amino)-3-iodopyridine |
CAS: |
211029-67-3 |
Synonyms: |
N-(3-iodo-4-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(3-iodopyridin-4-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-iodopyridin-4-yl)carbamate |
Description: | 4-(Boc-amino)-3-iodopyridine (CAS# 211029-67-3) is a useful research chemical. |
Molecular Weight: | 320.13 |
Molecular Formula: | C10H13IN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=NC=C1)I |
InChI: | InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h4-6H,1-3H3,(H,12,13,14) |
InChI Key: | FFJIDTLUJQCVAI-UHFFFAOYSA-N |
Boiling Point: | 313.2 °C at 760 mmHg |
Density: | 1.652 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White powder |
MDL: | MFCD04973409 |
LogP: | 3.10620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201946624-A | Heteroaryl compounds and uses thereof | 20180509 |
WO-2019214681-A1 | Heteroaryl compounds and uses thereof | 20180509 |
AU-2019265346-A1 | Heteroaryl compounds and uses thereof | 20180509 |
BR-112020022741-A2 | heteroaryl compounds and uses thereof | 20180509 |
CN-112384517-A | Heteroaryl compounds and uses thereof | 20180509 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.00218 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.00218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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