3-chloro-7-methylindolizine-1-carboxylic acid

C10H8ClNO2 — CID 174638129

IUPAC3-chloro-7-methylindolizine-1-carboxylic acid
SMILESCc1ccn2c(Cl)cc(C(=O)O)c2c1
InChIInChI=1S/C10H8ClNO2/c1-6-2-3-12-8(4-6)7(10(13)14)5-9(12)11/h2-5H,1H3,(H,13,14)
InChIKeyWMPAQRXYQPNWAK-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.60
Rot. Bonds1

About 3-chloro-7-methylindolizine-1-carboxylic acid

3-chloro-7-methylindolizine-1-carboxylic acid (PubChem CID 174638129) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 3-chloro-7-methylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-chloro-7-methylindolizine-1-carboxylic acid
PubChem CID174638129
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name3-chloro-7-methylindolizine-1-carboxylic acid
SMILESCc1ccn2c(Cl)cc(C(=O)O)c2c1
InChIInChI=1S/C10H8ClNO2/c1-6-2-3-12-8(4-6)7(10(13)14)5-9(12)11/h2-5H,1H3,(H,13,14)
InChIKeyWMPAQRXYQPNWAK-UHFFFAOYSA-N
XLogP2.60
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83869559
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
4-chloro-5,6-dimethylbenzene-1,3-dicarboxylic acid
CID 174519549
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
2-bromo-4-methylbenzoic acid;ethane
CID 143170535

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methylindolizine-1-carboxylic acid?
The IUPAC name of 3-chloro-7-methylindolizine-1-carboxylic acid (CID 174638129) is 3-chloro-7-methylindolizine-1-carboxylic acid.
What is the SMILES notation for 3-chloro-7-methylindolizine-1-carboxylic acid?
The canonical SMILES for 3-chloro-7-methylindolizine-1-carboxylic acid is Cc1ccn2c(Cl)cc(C(=O)O)c2c1.
What is the InChIKey of 3-chloro-7-methylindolizine-1-carboxylic acid?
The InChIKey is WMPAQRXYQPNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-2-3-12-8(4-6)7(10(13)14)5-9(12)11/h2-5H,1H3,(H,13,14).
What are the key properties of 3-chloro-7-methylindolizine-1-carboxylic acid?
3-chloro-7-methylindolizine-1-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methylindolizine-1-carboxylic acid is sourced from PubChem (CID 174638129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).