(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine

C8H10ClIN2 — CID 130647349

IUPAC(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1c(I)ccnc1Cl
InChIInChI=1S/C8H10ClIN2/c1-2-6(11)7-5(10)3-4-12-8(7)9/h3-4,6H,2,11H2,1H3/t6-/m1/s1
InChIKeyPSAIKQJLDJASEH-ZCFIWIBFSA-N
MW296.54 g/mol
LogP2.75
Rot. Bonds2

About (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine

(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine (PubChem CID 130647349) has the molecular formula C8H10ClIN2 and a molecular weight of 296.54 g/mol. Its IUPAC name is (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine
PubChem CID130647349
Molecular FormulaC8H10ClIN2
Molecular Weight296.54 g/mol
Exact Mass295.96
IUPAC Name(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1c(I)ccnc1Cl
InChIInChI=1S/C8H10ClIN2/c1-2-6(11)7-5(10)3-4-12-8(7)9/h3-4,6H,2,11H2,1H3/t6-/m1/s1
InChIKeyPSAIKQJLDJASEH-ZCFIWIBFSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 52.75
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

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CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(-)-Anatabine
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(R)-Nornicotine
CID 93047
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
(S)-nicotinium(1+)
CID 6919000
2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
(R)-(+)-Anatabine
CID 12306779
3-(Pyridin-3-yl)propan-1-amine
CID 13557523
(2-Chloropyridin-4-yl)methanamine
CID 2794167
Methyl[1-(pyridin-4-yl)ethyl]amine
CID 16776491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine?
The IUPAC name of (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine (CID 130647349) is (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine is CC[C@@H](N)c1c(I)ccnc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine?
The InChIKey is PSAIKQJLDJASEH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10ClIN2/c1-2-6(11)7-5(10)3-4-12-8(7)9/h3-4,6H,2,11H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine?
(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 130647349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).