4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile

C9H9ClN2O2 — CID 171900436

IUPAC4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1ncccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-6-2-1-5-12-8(6)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3H2
InChIKeyWPBYFUACHZUCQE-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.04
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900436) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900436
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1ncccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-6-2-1-5-12-8(6)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3H2
InChIKeyWPBYFUACHZUCQE-UHFFFAOYSA-N
XLogP1.04
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857436
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
S-[3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821404
4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900710
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
2-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859651
(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
CID 129453199
(3R)-3-amino-3-(3-fluoro-2-pyridinyl)propanenitrile
CID 55276318
4-(2-chloro-6-nitrophenyl)-3,4-dihydroxybutanenitrile
CID 171901415
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900436) is 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile is N#CCC(O)C(O)c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is WPBYFUACHZUCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-2-1-5-12-8(6)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3H2.
What are the key properties of 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 212.64 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).