2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride

C7H7Cl2NO2 — CID 68723222

IUPAC2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ncccc1Cl
InChIInChI=1S/C7H6ClNO2.ClH/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);1H
InChIKeyIXVQXXOPDVGCDO-UHFFFAOYSA-N
MW208.04 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride

2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride (PubChem CID 68723222) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
PubChem CID68723222
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ncccc1Cl
InChIInChI=1S/C7H6ClNO2.ClH/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);1H
InChIKeyIXVQXXOPDVGCDO-UHFFFAOYSA-N
XLogP1.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
2-(3-hydrazinyl-2-pyridinyl)acetic acid
CID 141331560
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride (CID 68723222) is 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride?
The InChIKey is IXVQXXOPDVGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.ClH/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);1H.
What are the key properties of 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride?
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride has a molecular weight of 208.04 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride is sourced from PubChem (CID 68723222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).