2-(6-chloro-3-pyridinyl)pentanal

C10H12ClNO — CID 170986632

IUPAC2-(6-chloro-3-pyridinyl)pentanal
SMILESCCCC(C=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClNO/c1-2-3-9(7-13)8-4-5-10(11)12-6-8/h4-7,9H,2-3H2,1H3
InChIKeyPYGVIANHURBLDW-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.82
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)pentanal

2-(6-chloro-3-pyridinyl)pentanal (PubChem CID 170986632) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)pentanal.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)pentanal
PubChem CID170986632
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(6-chloro-3-pyridinyl)pentanal
SMILESCCCC(C=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClNO/c1-2-3-9(7-13)8-4-5-10(11)12-6-8/h4-7,9H,2-3H2,1H3
InChIKeyPYGVIANHURBLDW-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
2-chloro-5-pentan-3-ylpyridine
CID 134459618
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(6-chloro-3-pyridinyl)octan-1-ol
CID 59729434
2,2,2-trichloroethyl (2S,3R)-2-(6-chloro-3-pyridinyl)-3-methylhexanoate
CID 134959385
S-[1-(6-chloro-3-pyridinyl)ethyl] ethanethioate
CID 87319082
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine
CID 142028970
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)pentanal?
The IUPAC name of 2-(6-chloro-3-pyridinyl)pentanal (CID 170986632) is 2-(6-chloro-3-pyridinyl)pentanal.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)pentanal?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)pentanal is CCCC(C=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)pentanal?
The InChIKey is PYGVIANHURBLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-3-9(7-13)8-4-5-10(11)12-6-8/h4-7,9H,2-3H2,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)pentanal?
2-(6-chloro-3-pyridinyl)pentanal has a molecular weight of 197.67 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)pentanal is sourced from PubChem (CID 170986632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).