1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride

C9H10ClNO2 — CID 56604209

IUPAC1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccccn2)CC1
InChIInChI=1S/C9H9NO2.ClH/c11-8(12)9(4-5-9)7-3-1-2-6-10-7;/h1-3,6H,4-5H2,(H,11,12);1H
InChIKeyIRTVMHFIKMBENX-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.62
Rot. Bonds2

About 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride

1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 56604209) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID56604209
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccccn2)CC1
InChIInChI=1S/C9H9NO2.ClH/c11-8(12)9(4-5-9)7-3-1-2-6-10-7;/h1-3,6H,4-5H2,(H,11,12);1H
InChIKeyIRTVMHFIKMBENX-UHFFFAOYSA-N
XLogP1.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83707122
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1-pyridin-2-ylcyclohexane-1-carbohydrazide
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4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone
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1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
CID 82134596
1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891028
2-pyridin-2-ylthiane-2-carboxylic acid
CID 102543650
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
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1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 130055276
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CID 174795898

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride (CID 56604209) is 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is IRTVMHFIKMBENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c11-8(12)9(4-5-9)7-3-1-2-6-10-7;/h1-3,6H,4-5H2,(H,11,12);1H.
What are the key properties of 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 56604209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).