2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid

C17H17FN2O6 — CID 171856350

IUPAC2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(NCC(O)C(O)c1nccc(C(=O)O)c1F)OCc1ccccc1
InChIInChI=1S/C17H17FN2O6/c18-13-11(16(23)24)6-7-19-14(13)15(22)12(21)8-20-17(25)26-9-10-4-2-1-3-5-10/h1-7,12,15,21-22H,8-9H2,(H,20,25)(H,23,24)
InChIKeyLRWDGRIEPAKGJC-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.24
Rot. Bonds7

About 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid

2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid (PubChem CID 171856350) has the molecular formula C17H17FN2O6 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
PubChem CID171856350
Molecular FormulaC17H17FN2O6
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(NCC(O)C(O)c1nccc(C(=O)O)c1F)OCc1ccccc1
InChIInChI=1S/C17H17FN2O6/c18-13-11(16(23)24)6-7-19-14(13)15(22)12(21)8-20-17(25)26-9-10-4-2-1-3-5-10/h1-7,12,15,21-22H,8-9H2,(H,20,25)(H,23,24)
InChIKeyLRWDGRIEPAKGJC-UHFFFAOYSA-N
XLogP1.24
TPSA128.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorobenzoic acid
CID 171856190
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
benzyl N-[3-(3-cyano-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855591
3-fluoro-2-[4-(phenylmethoxycarbonylamino)but-1-ynyl]pyridine-4-carboxylic acid
CID 170462946
benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855676
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
5-bromo-2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]benzoic acid
CID 171857060
5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,4-dihydroxybenzoic acid
CID 171856457
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855742
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid (CID 171856350) is 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid is O=C(NCC(O)C(O)c1nccc(C(=O)O)c1F)OCc1ccccc1.
What is the InChIKey of 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is LRWDGRIEPAKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O6/c18-13-11(16(23)24)6-7-19-14(13)15(22)12(21)8-20-17(25)26-9-10-4-2-1-3-5-10/h1-7,12,15,21-22H,8-9H2,(H,20,25)(H,23,24).
What are the key properties of 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid?
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 364.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 171856350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).