(6-iodo-4-methyl-3-pyridinyl)methanamine

C7H9IN2 — CID 102547034

IUPAC(6-iodo-4-methyl-3-pyridinyl)methanamine
SMILESCc1cc(I)ncc1CN
InChIInChI=1S/C7H9IN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3,9H2,1H3
InChIKeyDCIHIPMROFOPPX-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.45
Rot. Bonds1

About (6-iodo-4-methyl-3-pyridinyl)methanamine

(6-iodo-4-methyl-3-pyridinyl)methanamine (PubChem CID 102547034) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is (6-iodo-4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-iodo-4-methyl-3-pyridinyl)methanamine
PubChem CID102547034
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name(6-iodo-4-methyl-3-pyridinyl)methanamine
SMILESCc1cc(I)ncc1CN
InChIInChI=1S/C7H9IN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3,9H2,1H3
InChIKeyDCIHIPMROFOPPX-UHFFFAOYSA-N
XLogP1.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
CID 102545780
5-(aminomethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545289
1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine
CID 102547042
(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
CID 157390984
5-(aminomethyl)-2,4-dimethylaniline
CID 13465101
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
(4-ethynyl-6-methyl-3-pyridinyl)methanamine
CID 74888678
N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847202
4-(aminomethyl)-2-iodo-5-methylbenzonitrile
CID 171018933
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843

Frequently Asked Questions

What is the IUPAC name of (6-iodo-4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (6-iodo-4-methyl-3-pyridinyl)methanamine (CID 102547034) is (6-iodo-4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (6-iodo-4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (6-iodo-4-methyl-3-pyridinyl)methanamine is Cc1cc(I)ncc1CN.
What is the InChIKey of (6-iodo-4-methyl-3-pyridinyl)methanamine?
The InChIKey is DCIHIPMROFOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3,9H2,1H3.
What are the key properties of (6-iodo-4-methyl-3-pyridinyl)methanamine?
(6-iodo-4-methyl-3-pyridinyl)methanamine has a molecular weight of 248.07 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).