methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate

C14H14ClNO2 — CID 160617582

IUPACmethyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCOC(=O)C1CC2=C(CN1)Cc1ccc(Cl)cc12
InChIInChI=1S/C14H14ClNO2/c1-18-14(17)13-6-12-9(7-16-13)4-8-2-3-10(15)5-11(8)12/h2-3,5,13,16H,4,6-7H2,1H3
InChIKeyBKBSHHOEMQANFB-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.18
Rot. Bonds1

About methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate

methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 160617582) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID160617582
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Namemethyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCOC(=O)C1CC2=C(CN1)Cc1ccc(Cl)cc12
InChIInChI=1S/C14H14ClNO2/c1-18-14(17)13-6-12-9(7-16-13)4-8-2-3-10(15)5-11(8)12/h2-3,5,13,16H,4,6-7H2,1H3
InChIKeyBKBSHHOEMQANFB-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139684475
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CID 21344957
methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 99908919
methyl (3S)-7-hydroxy-8-iodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684443
methyl (3R)-6-chloro-4-oxo-2,3-dihydrothiochromene-3-carboxylate
CID 95561645
methyl (2R,5S)-5-(4-chlorophenyl)piperidine-2-carboxylate
CID 96530360
1-chloro-3-methylbenzene;methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 145074597
methyl (2S,4R)-4-(4-chloro-2-phenylphenoxy)pyrrolidine-2-carboxylate
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methyl (2S,4S)-4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54204420
methyl 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 13318364
methyl (2R,4R)-4-(2,5-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 98006332

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate (CID 160617582) is methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate is COC(=O)C1CC2=C(CN1)Cc1ccc(Cl)cc12.
What is the InChIKey of methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is BKBSHHOEMQANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-18-14(17)13-6-12-9(7-16-13)4-8-2-3-10(15)5-11(8)12/h2-3,5,13,16H,4,6-7H2,1H3.
What are the key properties of methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate?
methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 160617582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).