4-chloro-3-propoxypyridine

C8H10ClNO — CID 91927090

IUPAC4-chloro-3-propoxypyridine
SMILESCCCOc1cnccc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-5-11-8-6-10-4-3-7(8)9/h3-4,6H,2,5H2,1H3
InChIKeyBHBWWKRWAKKAMJ-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-3-propoxypyridine

4-chloro-3-propoxypyridine (PubChem CID 91927090) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-3-propoxypyridine.

Molecular Properties

Compound Name4-chloro-3-propoxypyridine
PubChem CID91927090
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-3-propoxypyridine
SMILESCCCOc1cnccc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-5-11-8-6-10-4-3-7(8)9/h3-4,6H,2,5H2,1H3
InChIKeyBHBWWKRWAKKAMJ-UHFFFAOYSA-N
XLogP2.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-propoxypyridine
CID 90961233
3-propoxypyridine-4-carbonitrile
CID 19432765
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
8-propoxyisoquinolin-5-amine
CID 103139869
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
4-(5-chloro-2-propoxy-4-pyridinyl)pyridin-3-amine
CID 67079933
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
3-chloro-5-methyl-2-propoxypyridine
CID 58571259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propoxypyridine?
The IUPAC name of 4-chloro-3-propoxypyridine (CID 91927090) is 4-chloro-3-propoxypyridine.
What is the SMILES notation for 4-chloro-3-propoxypyridine?
The canonical SMILES for 4-chloro-3-propoxypyridine is CCCOc1cnccc1Cl.
What is the InChIKey of 4-chloro-3-propoxypyridine?
The InChIKey is BHBWWKRWAKKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-5-11-8-6-10-4-3-7(8)9/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-chloro-3-propoxypyridine?
4-chloro-3-propoxypyridine has a molecular weight of 171.63 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propoxypyridine is sourced from PubChem (CID 91927090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).