N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide

C10H13FN2O3 — CID 170829540

IUPACN-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccncc1F
InChIInChI=1S/C10H13FN2O3/c1-6(14)13-5-9(15)10(16)7-2-3-12-4-8(7)11/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)
InChIKeySHHIJCVULQTYAJ-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.25
Rot. Bonds4

About N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829540) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829540
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccncc1F
InChIInChI=1S/C10H13FN2O3/c1-6(14)13-5-9(15)10(16)7-2-3-12-4-8(7)11/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)
InChIKeySHHIJCVULQTYAJ-UHFFFAOYSA-N
XLogP-0.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833655
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170829540) is N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccncc1F.
What is the InChIKey of N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is SHHIJCVULQTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-6(14)13-5-9(15)10(16)7-2-3-12-4-8(7)11/h2-4,9-10,15-16H,5H2,1H3,(H,13,14).
What are the key properties of N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 228.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).