(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine

C8H11IN2 — CID 124503157

IUPAC(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
SMILESCc1cc([C@@H](C)N)cnc1I
InChIInChI=1S/C8H11IN2/c1-5-3-7(6(2)10)4-11-8(5)9/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyKYKBKHZZFPYHQC-ZCFIWIBFSA-N
MW262.09 g/mol
LogP2.01
Rot. Bonds1

About (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine

(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine (PubChem CID 124503157) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
PubChem CID124503157
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
SMILESCc1cc([C@@H](C)N)cnc1I
InChIInChI=1S/C8H11IN2/c1-5-3-7(6(2)10)4-11-8(5)9/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyKYKBKHZZFPYHQC-ZCFIWIBFSA-N
XLogP2.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.01
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

(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
CID 124503154
1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
CID 102545029
5-[(1S)-1-aminoethyl]-N-ethyl-N,3-dimethylpyridin-2-amine
CID 124501310
5-[(1R)-1-aminoethyl]-3-bromopyridin-2-amine
CID 130766270
5-(1-aminoethyl)-2-fluoropyridin-3-amine
CID 55293983
5-[(1R)-1-aminoethyl]-2-fluoropyridin-3-amine
CID 55263086
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
CID 90451790
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(1-methylpyrrolo[3,2-b]pyridin-6-yl)ethanamine
CID 84766992
1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84655967
5-(difluoromethoxy)-2-iodo-3-methylpyridine
CID 172531797
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine (CID 124503157) is (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine is Cc1cc([C@@H](C)N)cnc1I.
What is the InChIKey of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine?
The InChIKey is KYKBKHZZFPYHQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11IN2/c1-5-3-7(6(2)10)4-11-8(5)9/h3-4,6H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine?
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine has a molecular weight of 262.09 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 124503157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).