5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide

C9H11ClN2O3 — CID 171862032

IUPAC5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(O)C(O)CCl)c1
InChIInChI=1S/C9H11ClN2O3/c10-2-7(13)8(14)5-1-6(9(11)15)4-12-3-5/h1,3-4,7-8,13-14H,2H2,(H2,11,15)
InChIKeySJJIYGAKXFRWGN-UHFFFAOYSA-N
MW230.65 g/mol
LogP-0.19
Rot. Bonds4

About 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide

5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide (PubChem CID 171862032) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
PubChem CID171862032
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(O)C(O)CCl)c1
InChIInChI=1S/C9H11ClN2O3/c10-2-7(13)8(14)5-1-6(9(11)15)4-12-3-5/h1,3-4,7-8,13-14H,2H2,(H2,11,15)
InChIKeySJJIYGAKXFRWGN-UHFFFAOYSA-N
XLogP-0.19
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899288
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170834171
ethyl 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897496
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
CID 171901473
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
S-[3-(5-acetyl-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822048
5-[(R)-amino(cyclopropyl)methyl]pyridine-3-carboxamide
CID 55275088
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide (CID 171862032) is 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide is NC(=O)c1cncc(C(O)C(O)CCl)c1.
What is the InChIKey of 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide?
The InChIKey is SJJIYGAKXFRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-2-7(13)8(14)5-1-6(9(11)15)4-12-3-5/h1,3-4,7-8,13-14H,2H2,(H2,11,15).
What are the key properties of 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide?
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide has a molecular weight of 230.65 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 171862032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).