[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol

C12H15FN2O — CID 105383144

IUPAC[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol
SMILESC#CCN(CCC)c1nccc(CO)c1F
InChIInChI=1S/C12H15FN2O/c1-3-7-15(8-4-2)12-11(13)10(9-16)5-6-14-12/h1,5-6,16H,4,7-9H2,2H3
InChIKeyYXWDAGYXGBJDAO-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.56
Rot. Bonds5

About [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol

[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol (PubChem CID 105383144) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol
PubChem CID105383144
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol
SMILESC#CCN(CCC)c1nccc(CO)c1F
InChIInChI=1S/C12H15FN2O/c1-3-7-15(8-4-2)12-11(13)10(9-16)5-6-14-12/h1,5-6,16H,4,7-9H2,2H3
InChIKeyYXWDAGYXGBJDAO-UHFFFAOYSA-N
XLogP1.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[methyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105382880
[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
CID 105383012
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383033
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
[2-nitro-5-[propyl(prop-2-ynyl)amino]phenyl]methanol
CID 114057799
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
CID 105416170
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
CID 105390289

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol (CID 105383144) is [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol is C#CCN(CCC)c1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol?
The InChIKey is YXWDAGYXGBJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-7-15(8-4-2)12-11(13)10(9-16)5-6-14-12/h1,5-6,16H,4,7-9H2,2H3.
What are the key properties of [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol?
[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol has a molecular weight of 222.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 105383144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).