benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate

C16H10ClNO5 — CID 138498506

IUPACbenzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate
SMILESO=C(OCc1ccccc1)Oc1ccc2c(Cl)cc(=O)oc2n1
InChIInChI=1S/C16H10ClNO5/c17-12-8-14(19)23-15-11(12)6-7-13(18-15)22-16(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYVKNSNKBHLQERV-UHFFFAOYSA-N
MW331.71 g/mol
LogP3.56
Rot. Bonds3

About benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate

benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate (PubChem CID 138498506) has the molecular formula C16H10ClNO5 and a molecular weight of 331.71 g/mol. Its IUPAC name is benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate.

Molecular Properties

Compound Namebenzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate
PubChem CID138498506
Molecular FormulaC16H10ClNO5
Molecular Weight331.71 g/mol
Exact Mass331.02
IUPAC Namebenzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate
SMILESO=C(OCc1ccccc1)Oc1ccc2c(Cl)cc(=O)oc2n1
InChIInChI=1S/C16H10ClNO5/c17-12-8-14(19)23-15-11(12)6-7-13(18-15)22-16(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYVKNSNKBHLQERV-UHFFFAOYSA-N
XLogP3.56
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479
benzyl (3-chloro-5-phenylmethoxycarbonyloxy-2-pyridinyl) carbonate
CID 22363155
benzyl (2,3-dichloroquinoxalin-6-yl) carbonate
CID 88658068
benzyl (6-chloro-2-phenoxy-4-phenylmethoxycarbonyloxynaphthalen-1-yl) carbonate
CID 19886566
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 2065261
(6-chloro-4-ethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
CID 3836734
benzyl 2-chloroacetate
CID 8786
1-O-[(3-phenoxyphenyl)methyl] 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91728163
benzyl carbonochloridate
CID 10387

Frequently Asked Questions

What is the IUPAC name of benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate?
The IUPAC name of benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate (CID 138498506) is benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate.
What is the SMILES notation for benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate?
The canonical SMILES for benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate is O=C(OCc1ccccc1)Oc1ccc2c(Cl)cc(=O)oc2n1.
What is the InChIKey of benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate?
The InChIKey is YVKNSNKBHLQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO5/c17-12-8-14(19)23-15-11(12)6-7-13(18-15)22-16(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate?
benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate has a molecular weight of 331.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate is sourced from PubChem (CID 138498506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).