3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine

C12H9F2IN2O — CID 126639458

IUPAC3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
SMILESNc1ncc(I)cc1OCc1c(F)cccc1F
InChIInChI=1S/C12H9F2IN2O/c13-9-2-1-3-10(14)8(9)6-18-11-4-7(15)5-17-12(11)16/h1-5H,6H2,(H2,16,17)
InChIKeyMXHCMPQYNPTNFQ-UHFFFAOYSA-N
MW362.12 g/mol
LogP3.13
Rot. Bonds3

About 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine

3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine (PubChem CID 126639458) has the molecular formula C12H9F2IN2O and a molecular weight of 362.12 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
PubChem CID126639458
Molecular FormulaC12H9F2IN2O
Molecular Weight362.12 g/mol
Exact Mass361.97
IUPAC Name3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
SMILESNc1ncc(I)cc1OCc1c(F)cccc1F
InChIInChI=1S/C12H9F2IN2O/c13-9-2-1-3-10(14)8(9)6-18-11-4-7(15)5-17-12(11)16/h1-5H,6H2,(H2,16,17)
InChIKeyMXHCMPQYNPTNFQ-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine
CID 173171258
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine
CID 142938073
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
5-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 118999866
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-pyridin-3-ylpyridin-2-amine
CID 21110961
5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
CID 21111328

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine?
The IUPAC name of 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine (CID 126639458) is 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine?
The canonical SMILES for 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine is Nc1ncc(I)cc1OCc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine?
The InChIKey is MXHCMPQYNPTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2IN2O/c13-9-2-1-3-10(14)8(9)6-18-11-4-7(15)5-17-12(11)16/h1-5H,6H2,(H2,16,17).
What are the key properties of 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine?
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine has a molecular weight of 362.12 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine is sourced from PubChem (CID 126639458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).