2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile

C10H9ClN2O — CID 170476499

IUPAC2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCCO)cnc1Cl
InChIInChI=1S/C10H9ClN2O/c11-10-9(6-12)5-8(7-13-10)3-1-2-4-14/h1,3,5,7,14H,2,4H2
InChIKeyJHHCCLRZUIRHIZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.00
Rot. Bonds3

About 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile

2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile (PubChem CID 170476499) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
PubChem CID170476499
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCCO)cnc1Cl
InChIInChI=1S/C10H9ClN2O/c11-10-9(6-12)5-8(7-13-10)3-1-2-4-14/h1,3,5,7,14H,2,4H2
InChIKeyJHHCCLRZUIRHIZ-UHFFFAOYSA-N
XLogP2.00
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-(6-chloro-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170493982
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
4-(4-hydroxybut-1-enyl)-2-methoxybenzonitrile
CID 170477013
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
CID 169463667
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
CID 170476900
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
5-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-2-chloropyridine-3-carbonitrile
CID 170806290
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile (CID 170476499) is 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile is N#Cc1cc(C=CCCO)cnc1Cl.
What is the InChIKey of 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile?
The InChIKey is JHHCCLRZUIRHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-9(6-12)5-8(7-13-10)3-1-2-4-14/h1,3,5,7,14H,2,4H2.
What are the key properties of 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile?
2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile is sourced from PubChem (CID 170476499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).