3-iodo-5-methyl-2-methylidenepyridin-1-amine

C7H9IN2 — CID 160736100

IUPAC3-iodo-5-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1N
InChIInChI=1S/C7H9IN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3
InChIKeyNOAPRGPMMDECQD-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.91
Rot. Bonds

About 3-iodo-5-methyl-2-methylidenepyridin-1-amine

3-iodo-5-methyl-2-methylidenepyridin-1-amine (PubChem CID 160736100) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 3-iodo-5-methyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-iodo-5-methyl-2-methylidenepyridin-1-amine
PubChem CID160736100
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name3-iodo-5-methyl-2-methylidenepyridin-1-amine
SMILESC=C1C(I)=CC(C)=CN1N
InChIInChI=1S/C7H9IN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3
InChIKeyNOAPRGPMMDECQD-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 1-amino-4,6-dimethyl-
CID 137427503
3-Fluoro-5-methyl-2-methylidenepyridin-1-amine
CID 159920057
2,2-Dimethylpyridin-1-amine
CID 68965606
(2Z)-2-[(Z)-2-ethylbut-2-enylidene]pyridin-1-amine
CID 138636662
(2Z)-2-[(Z)-hex-4-en-3-ylidene]pyridin-1-amine
CID 138706013
2,3-dimethyl-2H-pyridin-1-amine
CID 141130720
(2Z)-2-propylidenepyridin-1-amine
CID 144465638
2,3,5-trimethyl-1H-pyridazine
CID 146392503
(2Z)-5-methyl-2-prop-2-enylidenepyridin-1-amine
CID 155349912
(2Z)-2-but-3-en-2-ylidenepyridin-1-amine
CID 156080775
4-ethyl-2H-pyridin-1-amine
CID 156182255
N-iodo-2-methyl-2H-pyridin-1-amine
CID 156257693

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-iodo-5-methyl-2-methylidenepyridin-1-amine (CID 160736100) is 3-iodo-5-methyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-iodo-5-methyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-iodo-5-methyl-2-methylidenepyridin-1-amine is C=C1C(I)=CC(C)=CN1N.
What is the InChIKey of 3-iodo-5-methyl-2-methylidenepyridin-1-amine?
The InChIKey is NOAPRGPMMDECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-5-3-7(8)6(2)10(9)4-5/h3-4H,2,9H2,1H3.
What are the key properties of 3-iodo-5-methyl-2-methylidenepyridin-1-amine?
3-iodo-5-methyl-2-methylidenepyridin-1-amine has a molecular weight of 248.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 160736100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).