3-iodo-2-phenylmethoxypyridin-4-amine

C12H11IN2O — CID 127263634

IUPAC3-iodo-2-phenylmethoxypyridin-4-amine
SMILESNc1ccnc(OCc2ccccc2)c1I
InChIInChI=1S/C12H11IN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySMPVKTPNNLFQOV-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.85
Rot. Bonds3

About 3-iodo-2-phenylmethoxypyridin-4-amine

3-iodo-2-phenylmethoxypyridin-4-amine (PubChem CID 127263634) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-iodo-2-phenylmethoxypyridin-4-amine.

Molecular Properties

Compound Name3-iodo-2-phenylmethoxypyridin-4-amine
PubChem CID127263634
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name3-iodo-2-phenylmethoxypyridin-4-amine
SMILESNc1ccnc(OCc2ccccc2)c1I
InChIInChI=1S/C12H11IN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySMPVKTPNNLFQOV-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.85
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

3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 90462189
5-bromo-6-phenylmethoxypyridine-2,4-diamine
CID 25094363
3-methyl-2-(phenylmethoxymethyl)pyridin-4-amine
CID 130949786
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
4-iodo-2-phenylmethoxyaniline
CID 66756754
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-(pyridin-4-ylmethoxy)aniline
CID 16788077

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-phenylmethoxypyridin-4-amine?
The IUPAC name of 3-iodo-2-phenylmethoxypyridin-4-amine (CID 127263634) is 3-iodo-2-phenylmethoxypyridin-4-amine.
What is the SMILES notation for 3-iodo-2-phenylmethoxypyridin-4-amine?
The canonical SMILES for 3-iodo-2-phenylmethoxypyridin-4-amine is Nc1ccnc(OCc2ccccc2)c1I.
What is the InChIKey of 3-iodo-2-phenylmethoxypyridin-4-amine?
The InChIKey is SMPVKTPNNLFQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-iodo-2-phenylmethoxypyridin-4-amine?
3-iodo-2-phenylmethoxypyridin-4-amine has a molecular weight of 326.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-phenylmethoxypyridin-4-amine is sourced from PubChem (CID 127263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).