(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol

C18H13ClN2O — CID 11023268

IUPAC(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol
SMILESOCc1c(-c2ccccc2)c(Cl)nc2[nH]c3ccccc3c12
InChIInChI=1S/C18H13ClN2O/c19-17-15(11-6-2-1-3-7-11)13(10-22)16-12-8-4-5-9-14(12)20-18(16)21-17/h1-9,22H,10H2,(H,20,21)
InChIKeyCLCDDDQLXYHZQM-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.53
Rot. Bonds2

About (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol

(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol (PubChem CID 11023268) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol
PubChem CID11023268
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol
SMILESOCc1c(-c2ccccc2)c(Cl)nc2[nH]c3ccccc3c12
InChIInChI=1S/C18H13ClN2O/c19-17-15(11-6-2-1-3-7-11)13(10-22)16-12-8-4-5-9-14(12)20-18(16)21-17/h1-9,22H,10H2,(H,20,21)
InChIKeyCLCDDDQLXYHZQM-UHFFFAOYSA-N
XLogP4.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 137637274
CID 137637274
CID 137639998
CID 137639998
CID 127026627
CID 127026627
CID 127026919
CID 127026919
CID 137632584
CID 137632584
CID 127025661
CID 127025661
CID 127027533
CID 127027533
CID 127027536
CID 127027536
CID 90368113
CID 90368113
CID 15420806
CID 15420806
CID 15424157
CID 15424157
CID 404611
CID 404611

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol?
The IUPAC name of (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol (CID 11023268) is (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol.
What is the SMILES notation for (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol?
The canonical SMILES for (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol is OCc1c(-c2ccccc2)c(Cl)nc2[nH]c3ccccc3c12.
What is the InChIKey of (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol?
The InChIKey is CLCDDDQLXYHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-17-15(11-6-2-1-3-7-11)13(10-22)16-12-8-4-5-9-14(12)20-18(16)21-17/h1-9,22H,10H2,(H,20,21).
What are the key properties of (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol?
(2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol has a molecular weight of 308.77 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-phenyl-9H-pyrido[2,3-b]indol-4-yl)methanol is sourced from PubChem (CID 11023268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).