(1S)-1-(4-chloro-3-pyridinyl)ethanamine

C7H9ClN2 — CID 96955517

IUPAC(1S)-1-(4-chloro-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cnccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)6-4-10-3-2-7(6)8/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyXDCQXCLPSJSROP-YFKPBYRVSA-N
MW156.62 g/mol
LogP1.75
Rot. Bonds1

About (1S)-1-(4-chloro-3-pyridinyl)ethanamine

(1S)-1-(4-chloro-3-pyridinyl)ethanamine (PubChem CID 96955517) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is (1S)-1-(4-chloro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-3-pyridinyl)ethanamine
PubChem CID96955517
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name(1S)-1-(4-chloro-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cnccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)6-4-10-3-2-7(6)8/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyXDCQXCLPSJSROP-YFKPBYRVSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97296506
(1R)-1-(4-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55271212
1-(5,6-dichloroisoquinolin-8-yl)ethanamine
CID 82575672
3-amino-3-(4-chloro-3-pyridinyl)propanenitrile
CID 55291758
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
CID 74788000
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(4-chloro-3-pyridinyl)ethanamine (CID 96955517) is (1S)-1-(4-chloro-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chloro-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chloro-3-pyridinyl)ethanamine is C[C@H](N)c1cnccc1Cl.
What is the InChIKey of (1S)-1-(4-chloro-3-pyridinyl)ethanamine?
The InChIKey is XDCQXCLPSJSROP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(9)6-4-10-3-2-7(6)8/h2-5H,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-3-pyridinyl)ethanamine?
(1S)-1-(4-chloro-3-pyridinyl)ethanamine has a molecular weight of 156.62 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-3-pyridinyl)ethanamine is sourced from PubChem (CID 96955517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).