(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine

C9H9FN2 — CID 74787967

IUPAC(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
SMILESC#Cc1cnc([C@@H](C)N)c(F)c1
InChIInChI=1S/C9H9FN2/c1-3-7-4-8(10)9(6(2)11)12-5-7/h1,4-6H,11H2,2H3/t6-/m1/s1
InChIKeyJTDPQVBYOVPVFT-ZCFIWIBFSA-N
MW164.18 g/mol
LogP1.22
Rot. Bonds1

About (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine

(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine (PubChem CID 74787967) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
PubChem CID74787967
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
SMILESC#Cc1cnc([C@@H](C)N)c(F)c1
InChIInChI=1S/C9H9FN2/c1-3-7-4-8(10)9(6(2)11)12-5-7/h1,4-6H,11H2,2H3/t6-/m1/s1
InChIKeyJTDPQVBYOVPVFT-ZCFIWIBFSA-N
XLogP1.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
5-ethynyl-3-fluoropyridin-2-amine
CID 74892202
(1S)-1-(3-ethynyl-5-methyl-2-pyridinyl)ethanamine
CID 74788038
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 77402493
1-(5-ethynyl-3-pyridinyl)ethanamine
CID 74788737
3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine
CID 178173432
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
2-[[6-(1-aminoethyl)-5-fluoro-3-pyridinyl]amino]-5-fluorobenzonitrile
CID 59496426
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 175646954
1-(5-ethynyl-2-fluoro-3-pyridinyl)ethanone
CID 74788233

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine (CID 74787967) is (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine is C#Cc1cnc([C@@H](C)N)c(F)c1.
What is the InChIKey of (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine?
The InChIKey is JTDPQVBYOVPVFT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9FN2/c1-3-7-4-8(10)9(6(2)11)12-5-7/h1,4-6H,11H2,2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine?
(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine has a molecular weight of 164.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 74787967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).