4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid

C10H10N2O4 — CID 171901062

IUPAC4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
SMILESN#CCC(O)C(O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4/c11-3-1-8(13)9(14)6-2-4-12-7(5-6)10(15)16/h2,4-5,8-9,13-14H,1H2,(H,15,16)
InChIKeySKVCQTOJEBKGDN-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.09
Rot. Bonds4

About 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid

4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid (PubChem CID 171901062) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
PubChem CID171901062
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
SMILESN#CCC(O)C(O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4/c11-3-1-8(13)9(14)6-2-4-12-7(5-6)10(15)16/h2,4-5,8-9,13-14H,1H2,(H,15,16)
InChIKeySKVCQTOJEBKGDN-UHFFFAOYSA-N
XLogP0.09
TPSA114.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
CID 130614729
3,4-dihydroxy-4-[2-(trifluoromethyl)-4-pyridinyl]butanenitrile
CID 171901376
3,4-dihydroxy-4-(2-methoxy-4-pyridinyl)butanenitrile
CID 171900762
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
CID 55293398
4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
CID 167511421
4-(3-acetyl-4-hydroxyphenyl)-3,4-dihydroxybutanenitrile
CID 171901250
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
4-(1,3-benzoxazol-5-yl)-3,4-dihydroxybutanenitrile
CID 171901140
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
4-(2,3-dioxo-1H-indol-6-yl)-3,4-dihydroxybutanenitrile
CID 171901747

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid (CID 171901062) is 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid is N#CCC(O)C(O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The InChIKey is SKVCQTOJEBKGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-3-1-8(13)9(14)6-2-4-12-7(5-6)10(15)16/h2,4-5,8-9,13-14H,1H2,(H,15,16).
What are the key properties of 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 171901062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).