5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine

C9H10ClNO — CID 176933319

IUPAC5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(Cl)cc1OC
InChIInChI=1S/C9H10ClNO/c1-6(2)9-8(12-3)4-7(10)5-11-9/h4-5H,1H2,2-3H3
InChIKeyUGHCPFPIGTWLGD-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.78
Rot. Bonds2

About 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine

5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine (PubChem CID 176933319) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
PubChem CID176933319
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(Cl)cc1OC
InChIInChI=1S/C9H10ClNO/c1-6(2)9-8(12-3)4-7(10)5-11-9/h4-5H,1H2,2-3H3
InChIKeyUGHCPFPIGTWLGD-UHFFFAOYSA-N
XLogP2.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
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3-methoxy-2-prop-1-en-2-ylpyridine
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5-chloro-2-(difluoromethyl)-3-methoxypyridine
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2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
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1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
CID 138561291
2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
CID 84660779
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
5-chloro-3-ethoxy-2-methoxypyridine
CID 53217397
5-chloro-3-methoxy-2-prop-2-ynoxypyridine
CID 11356063

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine?
The IUPAC name of 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine (CID 176933319) is 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine is C=C(C)c1ncc(Cl)cc1OC.
What is the InChIKey of 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine?
The InChIKey is UGHCPFPIGTWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(2)9-8(12-3)4-7(10)5-11-9/h4-5H,1H2,2-3H3.
What are the key properties of 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine?
5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine has a molecular weight of 183.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 176933319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).